 
data_250422a_2m_a
 
_audit_creation_method            'SHELXL-2019/3'
_shelx_SHELXL_version_number      '2019/3'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C6.67 H16 Ge0.33 K0.33 O0.33 Si1.33' 
_chemical_formula_weight          176.21

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'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Si'  'Si'   0.0817   0.0704
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'K'  'K'   0.2009   0.2494
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Ge'  'Ge'   0.1547   1.8001
 '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                    10.8448(6)
_cell_length_b                    11.3293(6)
_cell_length_c                    13.4356(8)
_cell_angle_alpha                 105.810(2)
_cell_angle_beta                  105.661(2)
_cell_angle_gamma                 100.719(2)
_cell_volume                      1468.10(14)
_cell_formula_units_Z             6
_cell_measurement_temperature     173(2)
_cell_measurement_reflns_used     9735
_cell_measurement_theta_min       2.39
_cell_measurement_theta_max       28.70
 
_exptl_crystal_description        'plate'
_exptl_crystal_colour             'dark red'
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.196          
_exptl_crystal_F_000              566
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.200
_exptl_crystal_size_mid           0.100
_exptl_crystal_size_min           0.100
_exptl_absorpt_coefficient_mu     1.357
_shelx_estimated_absorpt_T_min    0.773
_shelx_estimated_absorpt_T_max    0.876
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.5329
_exptl_absorpt_correction_T_max   0.6794
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       173(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'Bruker APEX-II CCD'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             29116
_diffrn_reflns_av_unetI/netI      0.0614
_diffrn_reflns_av_R_equivalents   0.1331
_diffrn_reflns_limit_h_min        -12
_diffrn_reflns_limit_h_max        12
_diffrn_reflns_limit_k_min        -13
_diffrn_reflns_limit_k_max        13
_diffrn_reflns_limit_l_min        -15
_diffrn_reflns_limit_l_max        15
_diffrn_reflns_theta_min          1.674
_diffrn_reflns_theta_max          25.050
_diffrn_reflns_theta_full         25.050
_diffrn_measured_fraction_theta_max   0.998
_diffrn_measured_fraction_theta_full  0.998
_diffrn_reflns_Laue_measured_fraction_max    0.998
_diffrn_reflns_Laue_measured_fraction_full   0.998
_diffrn_reflns_point_group_measured_fraction_max   0.998
_diffrn_reflns_point_group_measured_fraction_full  0.998
_reflns_number_total              5185
_reflns_number_gt                 4913
_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        'Bruker APEX2'
_computing_cell_refinement        'Bruker SAINT'
_computing_data_reduction         'Bruker SAINT'
_computing_structure_solution     'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement 'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics     'Bruker SHELXTL'
_computing_publication_material   'Bruker SHELXTL'
_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)+(0.0823P)²+1.7744P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          5185
_refine_ls_number_parameters      256
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0646
_refine_ls_R_factor_gt            0.0624
_refine_ls_wR_factor_ref          0.1666
_refine_ls_wR_factor_gt           0.1648
_refine_ls_goodness_of_fit_ref    1.248
_refine_ls_restrained_S_all       1.248
_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
Ge1 Ge 0.35220(4) 0.40478(4) 0.79992(3) 0.01614(17) Uani 1 1 d . . . . .
K1 K 0.63487(12) 0.63943(12) 0.95713(9) 0.0511(4) Uani 1 1 d . . . . .
Si1 Si 0.22767(11) 0.61092(11) 0.70211(10) 0.0248(3) Uani 1 1 d . . . . .
Si2 Si 0.09769(12) 0.47490(11) 0.83627(10) 0.0244(3) Uani 1 1 d . . . . .
Si3 Si 0.26797(12) 0.10091(11) 0.66796(10) 0.0266(3) Uani 1 1 d . . . . .
Si4 Si 0.46475(11) 0.28669(11) 0.61084(9) 0.0228(3) Uani 1 1 d . . . . .
O1 O 0.7634(4) 0.8495(4) 0.9316(3) 0.0518(10) Uani 1 1 d . . . . .
C1 C 0.1844(4) 0.4589(4) 0.7324(3) 0.0182(8) Uani 1 1 d . . . . .
C2 C 0.1020(4) 0.3409(4) 0.6262(3) 0.0202(8) Uani 1 1 d . . . . .
H2A H 0.048745 0.275444 0.645624 0.024 Uiso 1 1 calc R U . . .
H2B H 0.039515 0.367755 0.573956 0.024 Uiso 1 1 calc R U . . .
C3 C 0.1943(4) 0.2827(4) 0.5707(3) 0.0228(9) Uani 1 1 d . . . . .
H3A H 0.229861 0.340040 0.534878 0.027 Uiso 1 1 calc R U . . .
H3B H 0.141420 0.199648 0.512759 0.027 Uiso 1 1 calc R U . . .
C4 C 0.3123(4) 0.2621(4) 0.6526(3) 0.0185(8) Uani 1 1 d . . . . .
C5 C 0.2307(5) 0.5836(5) 0.5583(4) 0.0378(12) Uani 1 1 d . . . . .
H5A H 0.245729 0.665363 0.545450 0.057 Uiso 1 1 calc R U . . .
H5B H 0.145208 0.525621 0.505318 0.057 Uiso 1 1 calc R U . . .
H5C H 0.302857 0.545581 0.549197 0.057 Uiso 1 1 calc R U . . .
C6 C 0.1069(5) 0.7099(5) 0.7116(5) 0.0411(12) Uani 1 1 d . . . . .
H6A H 0.132877 0.783232 0.688852 0.062 Uiso 1 1 calc R U . . .
H6B H 0.108300 0.740359 0.787599 0.062 Uiso 1 1 calc R U . . .
H6C H 0.016820 0.657600 0.663220 0.062 Uiso 1 1 calc R U . . .
C7 C 0.3936(5) 0.7248(5) 0.7984(5) 0.0476(14) Uani 1 1 d . . . . .
H7A H 0.403201 0.807114 0.786506 0.071 Uiso 1 1 calc R U . . .
H7B H 0.465526 0.689378 0.784178 0.071 Uiso 1 1 calc R U . . .
H7C H 0.398496 0.737099 0.874580 0.071 Uiso 1 1 calc R U . . .
C8 C 0.2053(5) 0.6095(5) 0.9671(4) 0.0408(12) Uani 1 1 d . . . . .
H8A H 0.166621 0.608260 1.024968 0.061 Uiso 1 1 calc R U . . .
H8B H 0.209957 0.691258 0.954538 0.061 Uiso 1 1 calc R U . . .
H8C H 0.295246 0.599167 0.989862 0.061 Uiso 1 1 calc R U . . .
C9 C -0.0707(5) 0.5040(6) 0.7907(5) 0.0431(13) Uani 1 1 d . . . . .
H9A H -0.120429 0.485142 0.838151 0.065 Uiso 1 1 calc R U . . .
H9B H -0.120367 0.448519 0.714408 0.065 Uiso 1 1 calc R U . . .
H9C H -0.058983 0.593622 0.795742 0.065 Uiso 1 1 calc R U . . .
C10 C 0.0556(5) 0.3260(5) 0.8715(4) 0.0343(11) Uani 1 1 d . . . . .
H10A H 0.044696 0.348529 0.943760 0.052 Uiso 1 1 calc R U . . .
H10B H 0.127912 0.285087 0.873223 0.052 Uiso 1 1 calc R U . . .
H10C H -0.027556 0.266780 0.815844 0.052 Uiso 1 1 calc R U . . .
C11 C 0.0929(5) 0.0506(4) 0.6679(5) 0.0391(12) Uani 1 1 d . . . . .
H11A H 0.073364 -0.036408 0.670196 0.059 Uiso 1 1 calc R U . . .
H11B H 0.030201 0.052909 0.601006 0.059 Uiso 1 1 calc R U . . .
H11C H 0.083759 0.109154 0.732540 0.059 Uiso 1 1 calc R U . . .
C12 C 0.2730(6) -0.0321(5) 0.5506(5) 0.0444(13) Uani 1 1 d . . . . .
H12A H 0.241143 -0.114325 0.559068 0.067 Uiso 1 1 calc R U . . .
H12B H 0.364872 -0.020506 0.550596 0.067 Uiso 1 1 calc R U . . .
H12C H 0.215713 -0.030627 0.480921 0.067 Uiso 1 1 calc R U . . .
C13 C 0.3807(6) 0.0927(5) 0.7984(5) 0.0469(13) Uani 1 1 d . . . . .
H13A H 0.390169 0.005988 0.785673 0.070 Uiso 1 1 calc R U . . .
H13B H 0.342080 0.114489 0.856671 0.070 Uiso 1 1 calc R U . . .
H13C H 0.468589 0.153382 0.820627 0.070 Uiso 1 1 calc R U . . .
C14 C 0.4204(5) 0.2072(5) 0.4577(4) 0.0399(12) Uani 1 1 d . . . . .
H14A H 0.501063 0.222288 0.437894 0.060 Uiso 1 1 calc R U . . .
H14B H 0.355589 0.243025 0.418404 0.060 Uiso 1 1 calc R U . . .
H14C H 0.381576 0.115099 0.437488 0.060 Uiso 1 1 calc R U . . .
C15 C 0.5984(5) 0.2249(5) 0.6832(4) 0.0372(11) Uani 1 1 d . . . . .
H15A H 0.673712 0.238207 0.656565 0.056 Uiso 1 1 calc R U . . .
H15B H 0.562535 0.133451 0.668377 0.056 Uiso 1 1 calc R U . . .
H15C H 0.628645 0.270866 0.762593 0.056 Uiso 1 1 calc R U . . .
C16 C 0.5489(5) 0.4589(5) 0.6394(4) 0.0332(10) Uani 1 1 d . . . . .
H16A H 0.618889 0.464140 0.606166 0.050 Uiso 1 1 calc R U . . .
H16B H 0.588628 0.503279 0.719052 0.050 Uiso 1 1 calc R U . . .
H16C H 0.483031 0.499213 0.607973 0.050 Uiso 1 1 calc R U . . .
C17 C 0.7354(7) 0.9713(6) 0.9514(6) 0.0584(16) Uani 1 1 d . . . . .
H17A H 0.798227 1.033573 1.022737 0.070 Uiso 1 1 calc R U . . .
H17B H 0.643141 0.963085 0.952068 0.070 Uiso 1 1 calc R U . . .
C18 C 0.7529(9) 1.0129(7) 0.8580(7) 0.073(2) Uani 1 1 d . . . . .
H18A H 0.670260 0.976288 0.792917 0.088 Uiso 1 1 calc R U . . .
H18B H 0.778225 1.107188 0.879498 0.088 Uiso 1 1 calc R U . . .
C19 C 0.8633(7) 0.9606(7) 0.8355(6) 0.0659(18) Uani 1 1 d . . . . .
H19A H 0.951745 1.017264 0.886779 0.079 Uiso 1 1 calc R U . . .
H19B H 0.860439 0.947644 0.758873 0.079 Uiso 1 1 calc R U . . .
C20 C 0.8323(7) 0.8353(6) 0.8548(6) 0.0645(18) Uani 1 1 d . . . . .
H20A H 0.776004 0.766023 0.784979 0.077 Uiso 1 1 calc R U . . .
H20B H 0.915736 0.813565 0.884420 0.077 Uiso 1 1 calc R U . . .
 
 
_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
Ge1 C4 2.062(4) . ?
Ge1 C1 2.083(4) . ?
Ge1 K1 3.3674(12) . ?
Ge1 K1 3.4051(12) 2_667 ?
K1 O1 2.682(4) . ?
K1 C7 3.374(6) . ?
K1 C10 3.401(5) 2_667 ?
K1 K1 4.498(2) 2_667 ?
Si1 C1 1.881(4) . ?
Si1 C5 1.883(5) . ?
Si1 C6 1.883(5) . ?
Si1 C7 1.883(5) . ?
Si2 C1 1.870(4) . ?
Si2 C10 1.883(5) . ?
Si2 C8 1.884(5) . ?
Si2 C9 1.884(5) . ?
Si3 C11 1.878(5) . ?
Si3 C4 1.881(4) . ?
Si3 C12 1.882(5) . ?
Si3 C13 1.884(5) . ?
Si4 C15 1.877(5) . ?
Si4 C16 1.878(5) . ?
Si4 C4 1.882(4) . ?
Si4 C14 1.889(5) . ?
O1 C20 1.421(8) . ?
O1 C17 1.438(8) . ?
C1 C2 1.565(5) . ?
C2 C3 1.540(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.548(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.500(9) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.496(10) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.505(9) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
 
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
C4 Ge1 C1 90.74(15) . . ?
C4 Ge1 K1 129.54(11) . . ?
C1 Ge1 K1 117.35(11) . . ?
C4 Ge1 K1 125.57(11) . 2_667 ?
C1 Ge1 K1 112.72(11) . 2_667 ?
K1 Ge1 K1 83.22(3) . 2_667 ?
O1 K1 Ge1 133.33(10) . . ?
O1 K1 C7 75.09(13) . . ?
Ge1 K1 C7 64.07(8) . . ?
O1 K1 C10 82.30(12) . 2_667 ?
Ge1 K1 C10 138.66(9) . 2_667 ?
C7 K1 C10 156.80(12) . 2_667 ?
O1 K1 Ge1 126.45(10) . 2_667 ?
Ge1 K1 Ge1 96.77(3) . 2_667 ?
C7 K1 Ge1 126.59(12) . 2_667 ?
C10 K1 Ge1 64.35(8) 2_667 2_667 ?
O1 K1 K1 164.48(12) . 2_667 ?
Ge1 K1 K1 48.75(2) . 2_667 ?
C7 K1 K1 97.12(10) . 2_667 ?
C10 K1 K1 103.56(8) 2_667 2_667 ?
Ge1 K1 K1 48.03(2) 2_667 2_667 ?
C1 Si1 C5 113.4(2) . . ?
C1 Si1 C6 114.9(2) . . ?
C5 Si1 C6 103.1(2) . . ?
C1 Si1 C7 113.7(2) . . ?
C5 Si1 C7 106.9(3) . . ?
C6 Si1 C7 103.9(3) . . ?
C1 Si2 C10 113.7(2) . . ?
C1 Si2 C8 109.9(2) . . ?
C10 Si2 C8 108.1(2) . . ?
C1 Si2 C9 114.8(2) . . ?
C10 Si2 C9 101.8(2) . . ?
C8 Si2 C9 108.1(3) . . ?
C11 Si3 C4 113.3(2) . . ?
C11 Si3 C12 103.5(2) . . ?
C4 Si3 C12 112.9(2) . . ?
C11 Si3 C13 106.5(3) . . ?
C4 Si3 C13 113.0(2) . . ?
C12 Si3 C13 107.0(3) . . ?
C15 Si4 C16 105.0(2) . . ?
C15 Si4 C4 113.3(2) . . ?
C16 Si4 C4 113.80(19) . . ?
C15 Si4 C14 108.2(2) . . ?
C16 Si4 C14 104.9(2) . . ?
C4 Si4 C14 111.0(2) . . ?
C20 O1 C17 108.9(4) . . ?
C20 O1 K1 118.8(3) . . ?
C17 O1 K1 128.0(3) . . ?
C2 C1 Si2 110.9(3) . . ?
C2 C1 Si1 112.6(3) . . ?
Si2 C1 Si1 112.2(2) . . ?
C2 C1 Ge1 103.1(2) . . ?
Si2 C1 Ge1 104.76(18) . . ?
Si1 C1 Ge1 112.65(19) . . ?
C3 C2 C1 111.1(3) . . ?
C3 C2 H2A 109.4 . . ?
C1 C2 H2A 109.4 . . ?
C3 C2 H2B 109.4 . . ?
C1 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
C2 C3 C4 112.9(3) . . ?
C2 C3 H3A 109.0 . . ?
C4 C3 H3A 109.0 . . ?
C2 C3 H3B 109.0 . . ?
C4 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
C3 C4 Si3 111.9(3) . . ?
C3 C4 Si4 110.6(3) . . ?
Si3 C4 Si4 111.44(19) . . ?
C3 C4 Ge1 104.8(2) . . ?
Si3 C4 Ge1 110.12(19) . . ?
Si4 C4 Ge1 107.79(19) . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 K1 124.1(2) . . ?
Si1 C7 H7A 109.5 . . ?
K1 C7 H7A 125.9 . . ?
Si1 C7 H7B 109.5 . . ?
K1 C7 H7B 47.7 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
K1 C7 H7C 61.8 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si2 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 K1 97.60(18) . 2_667 ?
Si2 C10 H10A 109.5 . . ?
K1 C10 H10A 77.6 2_667 . ?
Si2 C10 H10B 109.5 . . ?
K1 C10 H10B 41.0 2_667 . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
K1 C10 H10C 146.8 2_667 . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si3 C11 H11A 109.5 . . ?
Si3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si3 C12 H12A 109.5 . . ?
Si3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si4 C14 H14A 109.5 . . ?
Si4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si4 C15 H15A 109.5 . . ?
Si4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si4 C16 H16A 109.5 . . ?
Si4 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si4 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O1 C17 C18 105.0(5) . . ?
O1 C17 H17A 110.8 . . ?
C18 C17 H17A 110.8 . . ?
O1 C17 H17B 110.8 . . ?
C18 C17 H17B 110.8 . . ?
H17A C17 H17B 108.8 . . ?
C19 C18 C17 102.9(6) . . ?
C19 C18 H18A 111.2 . . ?
C17 C18 H18A 111.2 . . ?
C19 C18 H18B 111.2 . . ?
C17 C18 H18B 111.2 . . ?
H18A C18 H18B 109.1 . . ?
C18 C19 C20 101.6(5) . . ?
C18 C19 H19A 111.5 . . ?
C20 C19 H19A 111.5 . . ?
C18 C19 H19B 111.5 . . ?
C20 C19 H19B 111.5 . . ?
H19A C19 H19B 109.3 . . ?
O1 C20 C19 107.4(5) . . ?
O1 C20 H20A 110.2 . . ?
C19 C20 H20A 110.2 . . ?
O1 C20 H20B 110.2 . . ?
C19 C20 H20B 110.2 . . ?
H20A C20 H20B 108.5 . . ?
 
_refine_diff_density_max    0.602
_refine_diff_density_min   -1.391
_refine_diff_density_rms    0.190



