 
data_eu-mcpo-h2o_0414_auto
 
_audit_creation_method            'SHELXL-2018/3'
_shelx_SHELXL_version_number      '2018/3'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C52 H46 Eu N5 O16 P2' 
_chemical_formula_weight          1210.84

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0033   0.0016
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Eu'  'Eu'  -0.1578   3.6682
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       triclinic
_space_group_IT_number            2
_space_group_name_H-M_alt         'P -1'
_space_group_name_Hall            '-P 1'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    9.7632(4)
_cell_length_b                    12.0671(4)
_cell_length_c                    22.2933(9)
_cell_angle_alpha                 98.853(3)
_cell_angle_beta                  94.890(3)
_cell_angle_gamma                 102.897(3)
_cell_volume                      2510.12(17)
_cell_formula_units_Z             2
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     15032
_cell_measurement_theta_min       1.7740
_cell_measurement_theta_max       31.1690
 
_exptl_crystal_description         block
_exptl_crystal_colour             colourless
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.602          
_exptl_crystal_F_000              1228
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           ?
_exptl_crystal_size_mid           ?
_exptl_crystal_size_min           ?
_exptl_absorpt_coefficient_mu     1.392
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type 'XtaLAB AFC11 (RCD3): quarter-chi single'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             33436
_diffrn_reflns_av_unetI/netI      0.0400
_diffrn_reflns_av_R_equivalents   0.0391
_diffrn_reflns_limit_h_min        -13
_diffrn_reflns_limit_h_max        12
_diffrn_reflns_limit_k_min        -16
_diffrn_reflns_limit_k_max        16
_diffrn_reflns_limit_l_min        -30
_diffrn_reflns_limit_l_max        30
_diffrn_reflns_theta_min          1.759
_diffrn_reflns_theta_max          30.693
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.788
_diffrn_measured_fraction_theta_full  0.999
_diffrn_reflns_Laue_measured_fraction_max    0.788
_diffrn_reflns_Laue_measured_fraction_full   0.999
_diffrn_reflns_point_group_measured_fraction_max   0.788
_diffrn_reflns_point_group_measured_fraction_full  0.999
_reflns_number_total              12265
_reflns_number_gt                 10553
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0416P)²+7.0986P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    mixed
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          12265
_refine_ls_number_parameters      729
_refine_ls_number_restraints      97
_refine_ls_R_factor_all           0.0544
_refine_ls_R_factor_gt            0.0411
_refine_ls_wR_factor_ref          0.1048
_refine_ls_wR_factor_gt           0.0975
_refine_ls_goodness_of_fit_ref    1.079
_refine_ls_restrained_S_all       1.092
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Eu01 Eu 0.68377(2) 0.62779(2) 0.70413(2) 0.02107(6) Uani 1 1 d D . . . .
P002 P 0.80359(8) 0.86438(7) 0.61430(3) 0.01426(15) Uani 1 1 d . . . . .
P003 P 0.66330(8) 0.53519(7) 0.85870(4) 0.01615(15) Uani 1 1 d . . . . .
O004 O 0.4733(2) 1.2533(2) 0.74007(11) 0.0205(5) Uani 1 1 d . . . . .
O005 O 1.2222(2) 1.4050(2) 0.62590(12) 0.0257(5) Uani 1 1 d . . . . .
O006 O 0.7281(2) 0.78778(19) 0.65331(10) 0.0199(5) Uani 1 1 d . . . . .
O007 O 0.6892(2) 0.5483(2) 0.79500(10) 0.0198(5) Uani 1 1 d . . . . .
O008 O 1.0471(3) 0.1451(2) 0.80659(13) 0.0293(6) Uani 1 1 d . . . . .
O009 O 0.4982(3) 0.4487(2) 0.68797(12) 0.0277(5) Uani 1 1 d G . . . .
H00A H 0.498335 0.387386 0.702343 0.042 Uiso 1 1 d DG U . . .
H00B H 0.418512 0.434235 0.666125 0.042 Uiso 1 1 d DG U . . .
O00A O 0.2936(3) 0.0238(2) 0.93132(14) 0.0339(6) Uani 1 1 d . . . . .
O00B O 0.4603(3) 0.6902(2) 0.70710(14) 0.0352(6) Uani 1 1 d . . . . .
O00C O 0.6215(3) 0.7736(3) 0.78197(12) 0.0346(6) Uani 1 1 d . . . . .
N00D N 0.6597(3) 0.4007(2) 0.86994(12) 0.0167(5) Uani 1 1 d . . . . .
N00E N 0.8466(3) 1.0016(2) 0.65212(12) 0.0154(5) Uani 1 1 d . . . . .
O00F O 0.4210(4) 0.8239(3) 0.77548(17) 0.0502(9) Uani 1 1 d . . . . .
N00G N 0.4977(3) 0.7645(3) 0.75582(15) 0.0298(7) Uani 1 1 d . . . . .
C00H C 1.0804(3) 1.0980(3) 0.61789(14) 0.0172(6) Uani 1 1 d . . . . .
C00I C 0.9634(3) 0.8271(3) 0.59682(15) 0.0179(6) Uani 1 1 d . . . . .
O00J O 0.8927(3) 0.7609(3) 0.76399(16) 0.0451(8) Uani 1 1 d . . . . .
C00K C 0.5003(3) 0.5674(3) 0.87601(15) 0.0191(6) Uani 1 1 d . . . . .
C00L C 0.9133(3) 1.1999(3) 0.66049(14) 0.0156(6) Uani 1 1 d . . . . .
C00M C 1.1653(3) 1.2042(3) 0.61395(15) 0.0187(6) Uani 1 1 d . . . . .
C00N C 1.1263(3) 1.3073(3) 0.63278(15) 0.0192(6) Uani 1 1 d . . . . .
C00O C 0.9999(3) 1.3063(3) 0.65648(15) 0.0186(6) Uani 1 1 d . . . . .
C00P C 1.0665(3) 0.8303(3) 0.64534(16) 0.0211(6) Uani 1 1 d . . . . .
H00P H 1.053519 0.857191 0.685339 0.025 Uiso 1 1 calc R U . . .
C00Q C 0.9529(3) 1.0967(3) 0.64198(13) 0.0153(6) Uani 1 1 d . . . . .
C00R C 0.5579(3) 1.1819(3) 0.71929(14) 0.0176(6) Uani 1 1 d . . . . .
C00S C 0.5182(3) 1.0624(3) 0.71315(15) 0.0204(6) Uani 1 1 d . . . . .
H00S H 0.431374 1.027162 0.724021 0.024 Uiso 1 1 calc R U . . .
C00T C 0.7760(3) 1.1701(3) 0.68180(13) 0.0157(6) Uani 1 1 d . . . . .
C00U C 0.8018(3) 0.6269(3) 0.91433(15) 0.0200(6) Uani 1 1 d . . . . .
C00V C 0.3380(3) 1.2007(3) 0.75652(15) 0.0212(6) Uani 1 1 d . . . . .
H00C H 0.282118 1.148692 0.721599 0.032 Uiso 1 1 calc R U . . .
H00D H 0.290054 1.259522 0.770087 0.032 Uiso 1 1 calc R U . . .
H00E H 0.351373 1.158582 0.788887 0.032 Uiso 1 1 calc R U . . .
C00W C 0.6870(3) 1.2371(3) 0.70412(14) 0.0166(6) Uani 1 1 d . . . . .
H00W H 0.713418 1.317253 0.708790 0.020 Uiso 1 1 calc R U . . .
C00X C 0.7370(3) 1.0500(3) 0.67566(14) 0.0162(6) Uani 1 1 d . . . . .
C00Y C 0.4216(4) 0.3174(3) 0.90683(15) 0.0216(7) Uani 1 1 d . . . . .
H00Y H 0.390109 0.385091 0.910643 0.026 Uiso 1 1 calc R U . . .
C00Z C 0.7246(4) 0.9604(3) 0.51613(15) 0.0218(7) Uani 1 1 d . . . . .
H00Z H 0.802901 1.021105 0.531207 0.026 Uiso 1 1 calc R U . . .
C010 C 0.9860(4) 0.3222(3) 0.81862(15) 0.0220(7) Uani 1 1 d . . . . .
H010 H 1.072097 0.351830 0.805228 0.026 Uiso 1 1 calc R U . . .
C011 C 0.7344(3) 0.2320(3) 0.85965(14) 0.0185(6) Uani 1 1 d . . . . .
C012 C 0.5214(4) 0.8742(4) 0.44230(16) 0.0284(8) Uani 1 1 d . . . . .
H012 H 0.462325 0.877452 0.407942 0.034 Uiso 1 1 calc R U . . .
C013 C 0.7702(3) 0.3471(3) 0.85346(14) 0.0177(6) Uani 1 1 d . . . . .
C014 C 0.6954(3) 0.8661(3) 0.54533(14) 0.0166(6) Uani 1 1 d . . . . .
C015 C 1.1048(4) 0.7502(4) 0.52591(19) 0.0345(9) Uani 1 1 d . . . . .
H015 H 1.118300 0.723220 0.486001 0.041 Uiso 1 1 calc R U . . .
C016 C 0.4826(4) 0.6149(3) 0.93480(16) 0.0241(7) Uani 1 1 d . . . . .
H016 H 0.556698 0.630735 0.966336 0.029 Uiso 1 1 calc R U . . .
C017 C 0.2439(4) 0.6165(3) 0.89920(19) 0.0309(8) Uani 1 1 d . . . . .
H017 H 0.157476 0.631977 0.907132 0.037 Uiso 1 1 calc R U . . .
C018 C 0.5525(3) 0.3137(3) 0.88683(14) 0.0177(6) Uani 1 1 d . . . . .
C019 C 0.9496(4) 0.2054(3) 0.82400(15) 0.0227(7) Uani 1 1 d . . . . .
C01A C 0.6075(3) 0.9953(3) 0.69088(15) 0.0196(6) Uani 1 1 d . . . . .
H01A H 0.580937 0.915211 0.686284 0.024 Uiso 1 1 calc R U . . .
C01B C 0.3406(4) 0.2178(3) 0.92075(15) 0.0240(7) Uani 1 1 d . . . . .
H01B H 0.253171 0.219217 0.934092 0.029 Uiso 1 1 calc R U . . .
C01C C 0.9826(4) 0.7861(3) 0.53731(16) 0.0258(7) Uani 1 1 d . . . . .
H01C H 0.913751 0.782712 0.505122 0.031 Uiso 1 1 calc R U . . .
C01D C 0.9574(4) 0.6658(3) 1.00867(16) 0.0271(7) Uani 1 1 d . . . . .
H01D H 0.992449 0.641198 1.043068 0.033 Uiso 1 1 calc R U . . .
C01E C 0.8234(4) 0.1590(3) 0.84426(15) 0.0203(6) Uani 1 1 d . . . . .
H01E H 0.798374 0.081379 0.847565 0.024 Uiso 1 1 calc R U . . .
C01F C 0.5139(4) 0.1102(3) 0.89498(15) 0.0220(7) Uani 1 1 d . . . . .
H01F H 0.544001 0.041848 0.890539 0.026 Uiso 1 1 calc R U . . .
C01G C 0.6377(4) 0.9646(3) 0.46452(15) 0.0255(7) Uani 1 1 d . . . . .
H01G H 0.657443 1.028035 0.444921 0.031 Uiso 1 1 calc R U . . .
C01H C 0.8541(4) 0.5902(3) 0.96583(15) 0.0231(7) Uani 1 1 d . . . . .
H01H H 0.819592 0.514713 0.971534 0.028 Uiso 1 1 calc R U . . .
C01I C 0.3898(4) 0.5462(3) 0.82838(15) 0.0211(6) Uani 1 1 d . . . . .
H01I H 0.401979 0.515378 0.788869 0.025 Uiso 1 1 calc R U . . .
C01J C 1.1875(4) 0.7935(3) 0.63353(18) 0.0276(8) Uani 1 1 d . . . . .
H01J H 1.255850 0.794992 0.665567 0.033 Uiso 1 1 calc R U . . .
C01K C 1.0082(4) 0.7779(3) 1.00018(17) 0.0295(8) Uani 1 1 d . . . . .
H01K H 1.077449 0.828675 1.028985 0.035 Uiso 1 1 calc R U . . .
C01L C 0.4923(4) 0.7795(4) 0.47046(17) 0.0320(8) Uani 1 1 d . . . . .
H01L H 0.414787 0.718456 0.454632 0.038 Uiso 1 1 calc R U . . .
C01M C 0.3542(4) 0.6386(3) 0.94622(18) 0.0296(8) Uani 1 1 d . . . . .
H01M H 0.341690 0.669601 0.985650 0.036 Uiso 1 1 calc R U . . .
C01N C 0.5973(3) 0.2108(3) 0.88113(14) 0.0190(6) Uani 1 1 d . . . . .
C01O C 1.0139(4) 0.0253(4) 0.8097(2) 0.0336(9) Uani 1 1 d . . . . .
H01N H 0.926281 -0.012407 0.784483 0.050 Uiso 1 1 calc R U . . .
H01O H 1.004950 0.015818 0.851314 0.050 Uiso 1 1 calc R U . . .
H01P H 1.088189 -0.008390 0.795551 0.050 Uiso 1 1 calc R U . . .
C01P C 0.8974(3) 0.3942(3) 0.83270(15) 0.0207(6) Uani 1 1 d . . . . .
H01Q H 0.921560 0.471431 0.828491 0.025 Uiso 1 1 calc R U . . .
C01Q C 0.8532(4) 0.7399(3) 0.90619(17) 0.0299(8) Uani 1 1 d . . . . .
H01R H 0.818201 0.765046 0.871945 0.036 Uiso 1 1 calc R U . . .
C01R C 0.2629(4) 0.5711(3) 0.84032(17) 0.0268(7) Uani 1 1 d . . . . .
H01S H 0.189398 0.557497 0.808680 0.032 Uiso 1 1 calc R U . . .
C01S C 0.3851(4) 0.1150(3) 0.91551(16) 0.0247(7) Uani 1 1 d . . . . .
C01T C 1.2065(4) 0.7544(4) 0.5738(2) 0.0341(9) Uani 1 1 d . . . . .
H01T H 1.288496 0.730800 0.565877 0.041 Uiso 1 1 calc R U . . .
C01U C 0.5782(4) 0.7746(3) 0.52258(16) 0.0265(7) Uani 1 1 d . . . . .
H01U H 0.557894 0.711042 0.542055 0.032 Uiso 1 1 calc R U . . .
O01V O 0.9302(5) 0.5981(5) 0.7290(3) 0.0812(16) Uani 1 1 d . . . . .
C01W C 1.1742(4) 1.5084(3) 0.6291(2) 0.0398(10) Uani 1 1 d . . . . .
H01V H 1.090251 1.495228 0.600694 0.060 Uiso 1 1 calc R U . . .
H01W H 1.246642 1.568278 0.619067 0.060 Uiso 1 1 calc R U . . .
H01X H 1.153362 1.531502 0.669843 0.060 Uiso 1 1 calc R U . . .
C01X C 0.9568(5) 0.8151(3) 0.94924(18) 0.0353(9) Uani 1 1 d . . . . .
H01Y H 0.991609 0.890692 0.943747 0.042 Uiso 1 1 calc R U . . .
N01Y N 0.9766(4) 0.6968(6) 0.7605(3) 0.0704(18) Uani 1 1 d . . . . .
C01Z C 0.3327(5) -0.0833(3) 0.9239(2) 0.0414(10) Uani 1 1 d . . . . .
H01Z H 0.343208 -0.106880 0.881778 0.062 Uiso 1 1 calc R U . . .
H H 0.260589 -0.140587 0.936154 0.062 Uiso 1 1 calc R U . . .
HA H 0.420840 -0.074952 0.948847 0.062 Uiso 1 1 calc R U . . .
O020 O 0.5447(8) 0.5656(5) 0.5970(2) 0.054(2) Uani 0.625(14) 1 d G U P A 1
O022 O 0.7634(8) 0.5270(9) 0.6117(4) 0.088(3) Uani 0.625(14) 1 d G U P A 1
O023 O 0.6501(13) 0.4936(8) 0.5211(3) 0.126(5) Uani 0.625(14) 1 d G U P A 1
N3 N 0.6701(8) 0.5387(5) 0.5819(2) 0.088(4) Uani 0.625(14) 1 d G U P A 1
O021 O 1.0979(4) 0.7308(6) 0.7877(3) 0.130(3) Uani 1 1 d . . . . .
O0 O 0.7763(12) 0.4837(13) 0.6421(5) 0.079(4) Uani 0.375(14) 1 d G U P A 2
O1 O 0.7602(19) 0.4533(11) 0.5437(5) 0.103(6) Uani 0.375(14) 1 d G U P A 2
O2 O 0.6117(14) 0.5477(12) 0.5859(6) 0.073(4) Uani 0.375(14) 1 d G U P A 2
N3A N 0.7289(10) 0.5035(8) 0.5982(4) 0.057(4) Uani 0.375(14) 1 d G U P A 2
H00O H 0.972(4) 1.373(3) 0.6678(16) 0.009(8) Uiso 1 1 d . . . . .
H00M H 1.249(4) 1.212(3) 0.5987(18) 0.021(10) Uiso 1 1 d . . . . .
H00H H 1.109(4) 1.031(3) 0.6064(17) 0.016(9) Uiso 1 1 d . . . . .
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Eu01 O006 2.363(2) . ?
Eu01 O007 2.372(2) . ?
Eu01 O0 2.435(10) . ?
Eu01 O00J 2.436(3) . ?
Eu01 O009 2.446(2) . ?
Eu01 O00B 2.464(3) . ?
Eu01 O00C 2.489(3) . ?
Eu01 O022 2.500(7) . ?
Eu01 O01V 2.538(4) . ?
Eu01 O020 2.560(5) . ?
Eu01 O2 2.640(14) . ?
Eu01 N3A 2.721(7) . ?
P002 O006 1.486(2) . ?
P002 N00E 1.682(3) . ?
P002 C00I 1.775(3) . ?
P002 C014 1.795(3) . ?
P003 O007 1.490(2) . ?
P003 N00D 1.673(3) . ?
P003 C00K 1.780(3) . ?
P003 C00U 1.793(3) . ?
O004 C00R 1.378(4) . ?
O004 C00V 1.436(4) . ?
O005 C00N 1.370(4) . ?
O005 C01W 1.421(5) . ?
O008 C019 1.369(4) . ?
O008 C01O 1.423(5) . ?
O009 H00A 0.8501 . ?
O009 H00B 0.8497 . ?
O00A C01S 1.366(4) . ?
O00A C01Z 1.418(5) . ?
O00B N00G 1.266(5) . ?
O00C N00G 1.271(4) . ?
N00D C013 1.422(4) . ?
N00D C018 1.427(4) . ?
N00E C00Q 1.425(4) . ?
N00E C00X 1.430(4) . ?
O00F N00G 1.210(4) . ?
C00H C00M 1.381(4) . ?
C00H C00Q 1.395(4) . ?
C00H H00H 0.92(4) . ?
C00I C01C 1.386(5) . ?
C00I C00P 1.403(4) . ?
O00J N01Y 1.245(6) . ?
C00K C016 1.389(5) . ?
C00K C01I 1.398(5) . ?
C00L C00O 1.391(4) . ?
C00L C00Q 1.398(4) . ?
C00L C00T 1.449(4) . ?
C00M C00N 1.396(5) . ?
C00M H00M 0.90(4) . ?
C00N C00O 1.381(5) . ?
C00O H00O 0.91(4) . ?
C00P C01J 1.384(5) . ?
C00P H00P 0.9300 . ?
C00R C00W 1.384(4) . ?
C00R C00S 1.389(5) . ?
C00S C01A 1.388(5) . ?
C00S H00S 0.9300 . ?
C00T C00W 1.386(4) . ?
C00T C00X 1.395(4) . ?
C00U C01Q 1.389(5) . ?
C00U C01H 1.390(5) . ?
C00V H00C 0.9600 . ?
C00V H00D 0.9600 . ?
C00V H00E 0.9600 . ?
C00W H00W 0.9300 . ?
C00X C01A 1.385(4) . ?
C00Y C01B 1.378(5) . ?
C00Y C018 1.397(5) . ?
C00Y H00Y 0.9300 . ?
C00Z C014 1.383(5) . ?
C00Z C01G 1.385(5) . ?
C00Z H00Z 0.9300 . ?
C010 C01P 1.379(5) . ?
C010 C019 1.400(5) . ?
C010 H010 0.9300 . ?
C011 C013 1.386(5) . ?
C011 C01E 1.396(5) . ?
C011 C01N 1.443(4) . ?
C012 C01L 1.374(6) . ?
C012 C01G 1.382(5) . ?
C012 H012 0.9300 . ?
C013 C01P 1.394(5) . ?
C014 C01U 1.397(5) . ?
C015 C01T 1.381(6) . ?
C015 C01C 1.387(5) . ?
C015 H015 0.9300 . ?
C016 C01M 1.382(5) . ?
C016 H016 0.9300 . ?
C017 C01M 1.386(6) . ?
C017 C01R 1.386(5) . ?
C017 H017 0.9300 . ?
C018 C01N 1.398(5) . ?
C019 C01E 1.378(5) . ?
C01A H01A 0.9300 . ?
C01B C01S 1.396(5) . ?
C01B H01B 0.9300 . ?
C01C H01C 0.9300 . ?
C01D C01K 1.381(6) . ?
C01D C01H 1.385(5) . ?
C01D H01D 0.9300 . ?
C01E H01E 0.9300 . ?
C01F C01S 1.384(5) . ?
C01F C01N 1.396(5) . ?
C01F H01F 0.9300 . ?
C01G H01G 0.9300 . ?
C01H H01H 0.9300 . ?
C01I C01R 1.377(5) . ?
C01I H01I 0.9300 . ?
C01J C01T 1.384(6) . ?
C01J H01J 0.9300 . ?
C01K C01X 1.380(6) . ?
C01K H01K 0.9300 . ?
C01L C01U 1.391(5) . ?
C01L H01L 0.9300 . ?
C01M H01M 0.9300 . ?
C01O H01N 0.9600 . ?
C01O H01O 0.9600 . ?
C01O H01P 0.9600 . ?
C01P H01Q 0.9300 . ?
C01Q C01X 1.387(5) . ?
C01Q H01R 0.9300 . ?
C01R H01S 0.9300 . ?
C01T H01T 0.9300 . ?
C01U H01U 0.9300 . ?
O01V N01Y 1.250(8) . ?
C01W H01V 0.9600 . ?
C01W H01W 0.9600 . ?
C01W H01X 0.9600 . ?
C01X H01Y 0.9300 . ?
N01Y O021 1.234(7) . ?
C01Z H01Z 0.9600 . ?
C01Z H 0.9600 . ?
C01Z HA 0.9600 . ?
O020 N3 1.3897 . ?
O022 N3 1.1282 . ?
O023 N3 1.3616 . ?
O0 N3A 1.1282 . ?
O1 N3A 1.3616 . ?
O2 N3A 1.3898 . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
O006 Eu01 O007 150.79(8) . . ?
O006 Eu01 O0 103.8(4) . . ?
O007 Eu01 O0 96.8(4) . . ?
O006 Eu01 O00J 75.22(9) . . ?
O007 Eu01 O00J 79.76(9) . . ?
O0 Eu01 O00J 104.6(3) . . ?
O006 Eu01 O009 133.66(8) . . ?
O007 Eu01 O009 71.74(8) . . ?
O0 Eu01 O009 74.3(4) . . ?
O00J Eu01 O009 150.99(9) . . ?
O006 Eu01 O00B 78.10(9) . . ?
O007 Eu01 O00B 100.14(9) . . ?
O0 Eu01 O00B 137.9(3) . . ?
O00J Eu01 O00B 116.18(11) . . ?
O009 Eu01 O00B 75.01(9) . . ?
O006 Eu01 O00C 80.92(9) . . ?
O007 Eu01 O00C 75.79(9) . . ?
O0 Eu01 O00C 170.0(2) . . ?
O00J Eu01 O00C 67.76(11) . . ?
O009 Eu01 O00C 109.03(10) . . ?
O00B Eu01 O00C 51.34(9) . . ?
O006 Eu01 O022 83.6(3) . . ?
O007 Eu01 O022 118.6(3) . . ?
O00J Eu01 O022 107.3(2) . . ?
O009 Eu01 O022 82.5(2) . . ?
O00B Eu01 O022 125.8(2) . . ?
O00C Eu01 O022 164.5(3) . . ?
O006 Eu01 O01V 102.48(12) . . ?
O007 Eu01 O01V 71.72(11) . . ?
O0 Eu01 O01V 57.2(3) . . ?
O00J Eu01 O01V 50.41(17) . . ?
O009 Eu01 O01V 113.18(15) . . ?
O00B Eu01 O01V 164.64(16) . . ?
O00C Eu01 O01V 113.37(16) . . ?
O022 Eu01 O01V 69.2(2) . . ?
O006 Eu01 O020 72.05(15) . . ?
O007 Eu01 O020 135.70(15) . . ?
O00J Eu01 O020 143.60(16) . . ?
O009 Eu01 O020 64.08(15) . . ?
O00B Eu01 O020 72.0(2) . . ?
O00C Eu01 O020 121.03(19) . . ?
O022 Eu01 O020 53.85(9) . . ?
O01V Eu01 O020 123.0(2) . . ?
O006 Eu01 O2 72.7(3) . . ?
O007 Eu01 O2 136.5(3) . . ?
O0 Eu01 O2 53.51(18) . . ?
O00J Eu01 O2 133.5(3) . . ?
O009 Eu01 O2 69.9(3) . . ?
O00B Eu01 O2 89.0(3) . . ?
O00C Eu01 O2 136.4(3) . . ?
O01V Eu01 O2 105.9(3) . . ?
O006 Eu01 N3A 85.6(2) . . ?
O007 Eu01 N3A 119.3(3) . . ?
O0 Eu01 N3A 24.48(7) . . ?
O00J Eu01 N3A 115.8(2) . . ?
O009 Eu01 N3A 75.37(18) . . ?
O00B Eu01 N3A 118.5(3) . . ?
O00C Eu01 N3A 164.6(3) . . ?
O01V Eu01 N3A 76.7(3) . . ?
O2 Eu01 N3A 30.00(10) . . ?
O006 P002 N00E 109.35(13) . . ?
O006 P002 C00I 111.35(14) . . ?
N00E P002 C00I 107.42(14) . . ?
O006 P002 C014 112.77(15) . . ?
N00E P002 C014 105.30(14) . . ?
C00I P002 C014 110.33(15) . . ?
O007 P003 N00D 111.16(14) . . ?
O007 P003 C00K 111.71(15) . . ?
N00D P003 C00K 108.31(14) . . ?
O007 P003 C00U 112.10(15) . . ?
N00D P003 C00U 105.32(15) . . ?
C00K P003 C00U 107.96(16) . . ?
C00R O004 C00V 117.9(3) . . ?
C00N O005 C01W 117.2(3) . . ?
P002 O006 Eu01 155.94(15) . . ?
P003 O007 Eu01 157.28(15) . . ?
C019 O008 C01O 116.7(3) . . ?
Eu01 O009 H00A 128.6 . . ?
Eu01 O009 H00B 126.8 . . ?
H00A O009 H00B 104.6 . . ?
C01S O00A C01Z 116.9(3) . . ?
N00G O00B Eu01 97.2(2) . . ?
N00G O00C Eu01 95.9(2) . . ?
C013 N00D C018 106.5(3) . . ?
C013 N00D P003 120.7(2) . . ?
C018 N00D P003 132.2(2) . . ?
C00Q N00E C00X 105.9(2) . . ?
C00Q N00E P002 128.6(2) . . ?
C00X N00E P002 118.5(2) . . ?
O00F N00G O00B 122.0(4) . . ?
O00F N00G O00C 122.5(4) . . ?
O00B N00G O00C 115.5(3) . . ?
O00F N00G Eu01 177.4(3) . . ?
O00B N00G Eu01 57.19(17) . . ?
O00C N00G Eu01 58.33(17) . . ?
C00M C00H C00Q 117.6(3) . . ?
C00M C00H H00H 121(2) . . ?
C00Q C00H H00H 122(2) . . ?
C01C C00I C00P 119.9(3) . . ?
C01C C00I P002 121.5(3) . . ?
C00P C00I P002 118.4(3) . . ?
N01Y O00J Eu01 99.1(4) . . ?
C016 C00K C01I 120.1(3) . . ?
C016 C00K P003 121.6(3) . . ?
C01I C00K P003 118.3(3) . . ?
C00O C00L C00Q 121.4(3) . . ?
C00O C00L C00T 131.3(3) . . ?
C00Q C00L C00T 107.3(3) . . ?
C00H C00M C00N 122.0(3) . . ?
C00H C00M H00M 123(3) . . ?
C00N C00M H00M 115(3) . . ?
O005 C00N C00O 124.7(3) . . ?
O005 C00N C00M 114.8(3) . . ?
C00O C00N C00M 120.5(3) . . ?
C00N C00O C00L 118.0(3) . . ?
C00N C00O H00O 122(2) . . ?
C00L C00O H00O 120(2) . . ?
C01J C00P C00I 119.8(3) . . ?
C01J C00P H00P 120.1 . . ?
C00I C00P H00P 120.1 . . ?
C00H C00Q C00L 120.4(3) . . ?
C00H C00Q N00E 129.9(3) . . ?
C00L C00Q N00E 109.7(3) . . ?
O004 C00R C00W 115.5(3) . . ?
O004 C00R C00S 123.3(3) . . ?
C00W C00R C00S 121.3(3) . . ?
C01A C00S C00R 120.4(3) . . ?
C01A C00S H00S 119.8 . . ?
C00R C00S H00S 119.8 . . ?
C00W C00T C00X 120.7(3) . . ?
C00W C00T C00L 131.9(3) . . ?
C00X C00T C00L 107.3(3) . . ?
C01Q C00U C01H 119.7(3) . . ?
C01Q C00U P003 117.9(3) . . ?
C01H C00U P003 122.3(3) . . ?
O004 C00V H00C 109.5 . . ?
O004 C00V H00D 109.5 . . ?
H00C C00V H00D 109.5 . . ?
O004 C00V H00E 109.5 . . ?
H00C C00V H00E 109.5 . . ?
H00D C00V H00E 109.5 . . ?
C00R C00W C00T 118.3(3) . . ?
C00R C00W H00W 120.8 . . ?
C00T C00W H00W 120.8 . . ?
C01A C00X C00T 120.7(3) . . ?
C01A C00X N00E 129.6(3) . . ?
C00T C00X N00E 109.7(3) . . ?
C01B C00Y C018 118.1(3) . . ?
C01B C00Y H00Y 120.9 . . ?
C018 C00Y H00Y 120.9 . . ?
C014 C00Z C01G 120.3(3) . . ?
C014 C00Z H00Z 119.9 . . ?
C01G C00Z H00Z 119.9 . . ?
C01P C010 C019 121.6(3) . . ?
C01P C010 H010 119.2 . . ?
C019 C010 H010 119.2 . . ?
C013 C011 C01E 121.0(3) . . ?
C013 C011 C01N 107.2(3) . . ?
C01E C011 C01N 131.7(3) . . ?
C01L C012 C01G 120.6(3) . . ?
C01L C012 H012 119.7 . . ?
C01G C012 H012 119.7 . . ?
C011 C013 C01P 121.1(3) . . ?
C011 C013 N00D 109.8(3) . . ?
C01P C013 N00D 129.1(3) . . ?
C00Z C014 C01U 119.9(3) . . ?
C00Z C014 P002 120.0(2) . . ?
C01U C014 P002 120.0(3) . . ?
C01T C015 C01C 120.0(4) . . ?
C01T C015 H015 120.0 . . ?
C01C C015 H015 120.0 . . ?
C01M C016 C00K 119.7(3) . . ?
C01M C016 H016 120.2 . . ?
C00K C016 H016 120.2 . . ?
C01M C017 C01R 119.8(3) . . ?
C01M C017 H017 120.1 . . ?
C01R C017 H017 120.1 . . ?
C00Y C018 C01N 119.9(3) . . ?
C00Y C018 N00D 131.5(3) . . ?
C01N C018 N00D 108.6(3) . . ?
O008 C019 C01E 125.0(3) . . ?
O008 C019 C010 114.4(3) . . ?
C01E C019 C010 120.6(3) . . ?
C00X C01A C00S 118.7(3) . . ?
C00X C01A H01A 120.7 . . ?
C00S C01A H01A 120.7 . . ?
C00Y C01B C01S 122.2(3) . . ?
C00Y C01B H01B 118.9 . . ?
C01S C01B H01B 118.9 . . ?
C00I C01C C015 119.8(3) . . ?
C00I C01C H01C 120.1 . . ?
C015 C01C H01C 120.1 . . ?
C01K C01D C01H 119.9(3) . . ?
C01K C01D H01D 120.1 . . ?
C01H C01D H01D 120.1 . . ?
C019 C01E C011 118.0(3) . . ?
C019 C01E H01E 121.0 . . ?
C011 C01E H01E 121.0 . . ?
C01S C01F C01N 118.2(3) . . ?
C01S C01F H01F 120.9 . . ?
C01N C01F H01F 120.9 . . ?
C012 C01G C00Z 119.7(3) . . ?
C012 C01G H01G 120.2 . . ?
C00Z C01G H01G 120.2 . . ?
C01D C01H C00U 120.1(3) . . ?
C01D C01H H01H 120.0 . . ?
C00U C01H H01H 120.0 . . ?
C01R C01I C00K 119.6(3) . . ?
C01R C01I H01I 120.2 . . ?
C00K C01I H01I 120.2 . . ?
C00P C01J C01T 119.7(3) . . ?
C00P C01J H01J 120.1 . . ?
C01T C01J H01J 120.1 . . ?
C01X C01K C01D 120.4(3) . . ?
C01X C01K H01K 119.8 . . ?
C01D C01K H01K 119.8 . . ?
C012 C01L C01U 120.2(3) . . ?
C012 C01L H01L 119.9 . . ?
C01U C01L H01L 119.9 . . ?
C016 C01M C017 120.3(3) . . ?
C016 C01M H01M 119.8 . . ?
C017 C01M H01M 119.8 . . ?
C01F C01N C018 121.5(3) . . ?
C01F C01N C011 130.6(3) . . ?
C018 C01N C011 107.9(3) . . ?
O008 C01O H01N 109.5 . . ?
O008 C01O H01O 109.5 . . ?
H01N C01O H01O 109.5 . . ?
O008 C01O H01P 109.5 . . ?
H01N C01O H01P 109.5 . . ?
H01O C01O H01P 109.5 . . ?
C010 C01P C013 117.5(3) . . ?
C010 C01P H01Q 121.2 . . ?
C013 C01P H01Q 121.2 . . ?
C01X C01Q C00U 119.9(3) . . ?
C01X C01Q H01R 120.1 . . ?
C00U C01Q H01R 120.1 . . ?
C01I C01R C017 120.4(3) . . ?
C01I C01R H01S 119.8 . . ?
C017 C01R H01S 119.8 . . ?
O00A C01S C01F 124.5(3) . . ?
O00A C01S C01B 115.5(3) . . ?
C01F C01S C01B 120.0(3) . . ?
C015 C01T C01J 120.7(4) . . ?
C015 C01T H01T 119.6 . . ?
C01J C01T H01T 119.6 . . ?
C01L C01U C014 119.3(3) . . ?
C01L C01U H01U 120.4 . . ?
C014 C01U H01U 120.4 . . ?
N01Y O01V Eu01 94.0(3) . . ?
O005 C01W H01V 109.5 . . ?
O005 C01W H01W 109.5 . . ?
H01V C01W H01W 109.5 . . ?
O005 C01W H01X 109.5 . . ?
H01V C01W H01X 109.5 . . ?
H01W C01W H01X 109.5 . . ?
C01K C01X C01Q 120.0(4) . . ?
C01K C01X H01Y 120.0 . . ?
C01Q C01X H01Y 120.0 . . ?
O021 N01Y O00J 120.3(7) . . ?
O021 N01Y O01V 123.3(6) . . ?
O00J N01Y O01V 116.4(5) . . ?
O021 N01Y Eu01 175.4(6) . . ?
O00J N01Y Eu01 55.8(3) . . ?
O01V N01Y Eu01 60.6(3) . . ?
O00A C01Z H01Z 109.5 . . ?
O00A C01Z H 109.5 . . ?
H01Z C01Z H 109.5 . . ?
O00A C01Z HA 109.5 . . ?
H01Z C01Z HA 109.5 . . ?
H C01Z HA 109.5 . . ?
N3 O020 Eu01 82.6(2) . . ?
N3 O022 Eu01 90.5(2) . . ?
O022 N3 O023 119.4 . . ?
O022 N3 O020 130.8 . . ?
O023 N3 O020 107.5 . . ?
O022 N3 Eu01 65.3(2) . . ?
O023 N3 Eu01 174.7(2) . . ?
O020 N3 Eu01 67.3(2) . . ?
N3A O0 Eu01 92.1(5) . . ?
N3A O2 Eu01 78.2(4) . . ?
O0 N3A O1 119.4 . . ?
O0 N3A O2 130.8 . . ?
O1 N3A O2 107.5 . . ?
O0 N3A Eu01 63.4(5) . . ?
O1 N3A Eu01 173.2(6) . . ?
O2 N3A Eu01 71.8(5) . . ?
 
loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion_publ_flag
N00E P002 O006 Eu01 -127.4(3) . . . . ?
C00I P002 O006 Eu01 -8.8(4) . . . . ?
C014 P002 O006 Eu01 115.8(4) . . . . ?
N00D P003 O007 Eu01 155.4(3) . . . . ?
C00K P003 O007 Eu01 34.3(4) . . . . ?
C00U P003 O007 Eu01 -87.1(4) . . . . ?
O007 P003 N00D C013 50.2(3) . . . . ?
C00K P003 N00D C013 173.3(2) . . . . ?
C00U P003 N00D C013 -71.4(3) . . . . ?
O007 P003 N00D C018 -119.7(3) . . . . ?
C00K P003 N00D C018 3.4(3) . . . . ?
C00U P003 N00D C018 118.7(3) . . . . ?
O006 P002 N00E C00Q 159.1(3) . . . . ?
C00I P002 N00E C00Q 38.1(3) . . . . ?
C014 P002 N00E C00Q -79.5(3) . . . . ?
O006 P002 N00E C00X -54.3(3) . . . . ?
C00I P002 N00E C00X -175.3(2) . . . . ?
C014 P002 N00E C00X 67.1(2) . . . . ?
Eu01 O00B N00G O00F 177.1(3) . . . . ?
Eu01 O00B N00G O00C -1.9(3) . . . . ?
Eu01 O00C N00G O00F -177.1(3) . . . . ?
Eu01 O00C N00G O00B 1.9(3) . . . . ?
O006 P002 C00I C01C 115.6(3) . . . . ?
N00E P002 C00I C01C -124.7(3) . . . . ?
C014 P002 C00I C01C -10.4(3) . . . . ?
O006 P002 C00I C00P -59.0(3) . . . . ?
N00E P002 C00I C00P 60.7(3) . . . . ?
C014 P002 C00I C00P 175.0(2) . . . . ?
O007 P003 C00K C016 -148.5(3) . . . . ?
N00D P003 C00K C016 88.8(3) . . . . ?
C00U P003 C00K C016 -24.8(3) . . . . ?
O007 P003 C00K C01I 30.0(3) . . . . ?
N00D P003 C00K C01I -92.7(3) . . . . ?
C00U P003 C00K C01I 153.7(3) . . . . ?
C00Q C00H C00M C00N -0.4(5) . . . . ?
C01W O005 C00N C00O -16.0(5) . . . . ?
C01W O005 C00N C00M 164.3(3) . . . . ?
C00H C00M C00N O005 180.0(3) . . . . ?
C00H C00M C00N C00O 0.2(5) . . . . ?
O005 C00N C00O C00L 179.9(3) . . . . ?
C00M C00N C00O C00L -0.4(5) . . . . ?
C00Q C00L C00O C00N 0.9(5) . . . . ?
C00T C00L C00O C00N -178.8(3) . . . . ?
C01C C00I C00P C01J 0.5(5) . . . . ?
P002 C00I C00P C01J 175.2(3) . . . . ?
C00M C00H C00Q C00L 0.8(5) . . . . ?
C00M C00H C00Q N00E -179.1(3) . . . . ?
C00O C00L C00Q C00H -1.1(5) . . . . ?
C00T C00L C00Q C00H 178.7(3) . . . . ?
C00O C00L C00Q N00E 178.9(3) . . . . ?
C00T C00L C00Q N00E -1.4(3) . . . . ?
C00X N00E C00Q C00H -178.0(3) . . . . ?
P002 N00E C00Q C00H -28.2(5) . . . . ?
C00X N00E C00Q C00L 2.1(3) . . . . ?
P002 N00E C00Q C00L 151.9(2) . . . . ?
C00V O004 C00R C00W -180.0(3) . . . . ?
C00V O004 C00R C00S 0.5(4) . . . . ?
O004 C00R C00S C01A 178.8(3) . . . . ?
C00W C00R C00S C01A -0.7(5) . . . . ?
C00O C00L C00T C00W 0.9(6) . . . . ?
C00Q C00L C00T C00W -178.8(3) . . . . ?
C00O C00L C00T C00X 179.8(3) . . . . ?
C00Q C00L C00T C00X 0.1(3) . . . . ?
O007 P003 C00U C01Q 43.1(3) . . . . ?
N00D P003 C00U C01Q 164.1(3) . . . . ?
C00K P003 C00U C01Q -80.4(3) . . . . ?
O007 P003 C00U C01H -139.7(3) . . . . ?
N00D P003 C00U C01H -18.7(3) . . . . ?
C00K P003 C00U C01H 96.9(3) . . . . ?
O004 C00R C00W C00T -178.8(3) . . . . ?
C00S C00R C00W C00T 0.8(5) . . . . ?
C00X C00T C00W C00R -0.9(4) . . . . ?
C00L C00T C00W C00R 177.9(3) . . . . ?
C00W C00T C00X C01A 1.0(5) . . . . ?
C00L C00T C00X C01A -178.1(3) . . . . ?
C00W C00T C00X N00E -179.7(3) . . . . ?
C00L C00T C00X N00E 1.2(3) . . . . ?
C00Q N00E C00X C01A 177.2(3) . . . . ?
P002 N00E C00X C01A 23.8(4) . . . . ?
C00Q N00E C00X C00T -2.0(3) . . . . ?
P002 N00E C00X C00T -155.4(2) . . . . ?
C01E C011 C013 C01P -1.2(5) . . . . ?
C01N C011 C013 C01P -179.3(3) . . . . ?
C01E C011 C013 N00D 177.8(3) . . . . ?
C01N C011 C013 N00D -0.4(3) . . . . ?
C018 N00D C013 C011 0.0(3) . . . . ?
P003 N00D C013 C011 -172.2(2) . . . . ?
C018 N00D C013 C01P 178.9(3) . . . . ?
P003 N00D C013 C01P 6.6(5) . . . . ?
C01G C00Z C014 C01U 0.3(5) . . . . ?
C01G C00Z C014 P002 -177.0(3) . . . . ?
O006 P002 C014 C00Z 155.3(3) . . . . ?
N00E P002 C014 C00Z 36.1(3) . . . . ?
C00I P002 C014 C00Z -79.5(3) . . . . ?
O006 P002 C014 C01U -22.0(3) . . . . ?
N00E P002 C014 C01U -141.2(3) . . . . ?
C00I P002 C014 C01U 103.2(3) . . . . ?
C01I C00K C016 C01M 1.5(5) . . . . ?
P003 C00K C016 C01M 180.0(3) . . . . ?
C01B C00Y C018 C01N 0.4(5) . . . . ?
C01B C00Y C018 N00D -179.1(3) . . . . ?
C013 N00D C018 C00Y 179.9(3) . . . . ?
P003 N00D C018 C00Y -9.1(5) . . . . ?
C013 N00D C018 C01N 0.4(3) . . . . ?
P003 N00D C018 C01N 171.4(2) . . . . ?
C01O O008 C019 C01E 0.2(5) . . . . ?
C01O O008 C019 C010 -178.5(3) . . . . ?
C01P C010 C019 O008 178.2(3) . . . . ?
C01P C010 C019 C01E -0.6(5) . . . . ?
C00T C00X C01A C00S -0.8(5) . . . . ?
N00E C00X C01A C00S 180.0(3) . . . . ?
C00R C00S C01A C00X 0.7(5) . . . . ?
C018 C00Y C01B C01S 0.0(5) . . . . ?
C00P C00I C01C C015 -1.0(5) . . . . ?
P002 C00I C01C C015 -175.5(3) . . . . ?
C01T C015 C01C C00I 0.5(6) . . . . ?
O008 C019 C01E C011 -179.3(3) . . . . ?
C010 C019 C01E C011 -0.6(5) . . . . ?
C013 C011 C01E C019 1.4(5) . . . . ?
C01N C011 C01E C019 179.1(3) . . . . ?
C01L C012 C01G C00Z -0.8(5) . . . . ?
C014 C00Z C01G C012 0.0(5) . . . . ?
C01K C01D C01H C00U 0.1(5) . . . . ?
C01Q C00U C01H C01D -0.3(5) . . . . ?
P003 C00U C01H C01D -177.5(3) . . . . ?
C016 C00K C01I C01R -0.9(5) . . . . ?
P003 C00K C01I C01R -179.5(3) . . . . ?
C00I C00P C01J C01T 0.5(5) . . . . ?
C01H C01D C01K C01X -0.1(6) . . . . ?
C01G C012 C01L C01U 1.3(6) . . . . ?
C00K C016 C01M C017 -0.8(6) . . . . ?
C01R C017 C01M C016 -0.5(6) . . . . ?
C01S C01F C01N C018 -0.8(5) . . . . ?
C01S C01F C01N C011 179.5(3) . . . . ?
C00Y C018 C01N C01F 0.0(5) . . . . ?
N00D C018 C01N C01F 179.6(3) . . . . ?
C00Y C018 C01N C011 179.8(3) . . . . ?
N00D C018 C01N C011 -0.6(3) . . . . ?
C013 C011 C01N C01F -179.7(3) . . . . ?
C01E C011 C01N C01F 2.4(6) . . . . ?
C013 C011 C01N C018 0.6(3) . . . . ?
C01E C011 C01N C018 -177.3(3) . . . . ?
C019 C010 C01P C013 0.9(5) . . . . ?
C011 C013 C01P C010 0.0(5) . . . . ?
N00D C013 C01P C010 -178.8(3) . . . . ?
C01H C00U C01Q C01X 0.4(6) . . . . ?
P003 C00U C01Q C01X 177.7(3) . . . . ?
C00K C01I C01R C017 -0.3(5) . . . . ?
C01M C017 C01R C01I 1.1(6) . . . . ?
C01Z O00A C01S C01F -2.2(6) . . . . ?
C01Z O00A C01S C01B 177.3(4) . . . . ?
C01N C01F C01S O00A -179.3(3) . . . . ?
C01N C01F C01S C01B 1.2(5) . . . . ?
C00Y C01B C01S O00A 179.6(3) . . . . ?
C00Y C01B C01S C01F -0.9(5) . . . . ?
C01C C015 C01T C01J 0.5(6) . . . . ?
C00P C01J C01T C015 -1.0(6) . . . . ?
C012 C01L C01U C014 -0.9(6) . . . . ?
C00Z C014 C01U C01L 0.1(5) . . . . ?
P002 C014 C01U C01L 177.4(3) . . . . ?
C01D C01K C01X C01Q 0.2(7) . . . . ?
C00U C01Q C01X C01K -0.3(7) . . . . ?
Eu01 O00J N01Y O021 -177.1(4) . . . . ?
Eu01 O00J N01Y O01V 2.1(5) . . . . ?
Eu01 O01V N01Y O021 177.2(5) . . . . ?
Eu01 O01V N01Y O00J -2.0(4) . . . . ?
Eu01 O022 N3 O023 -177.3(4) . . . . ?
Eu01 O022 N3 O020 -16.9(4) . . . . ?
Eu01 O020 N3 O022 16.6(4) . . . . ?
Eu01 O020 N3 O023 178.8(4) . . . . ?
Eu01 O0 N3A O1 173.0(7) . . . . ?
Eu01 O0 N3A O2 -26.5(7) . . . . ?
Eu01 O2 N3A O0 24.9(6) . . . . ?
Eu01 O2 N3A O1 -172.9(6) . . . . ?
 
_refine_diff_density_max    2.054
_refine_diff_density_min   -1.997
_refine_diff_density_rms    0.128



