data_CLNF-LIFM1_1
_audit_creation_date              2023-06-10
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P3'
_symmetry_Int_Tables_number       143
_symmetry_cell_setting            trigonal
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -y,x-y,z
  -x+y,-x,z
_cell_length_a                    49.3097
_cell_length_b                    49.3097
_cell_length_c                    4.1215
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 120.0000
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
O1     O     0.56238   0.53425   1.41244   0.05328  Uani   1.00
C2     C     0.48914   0.52421   1.00933   0.03844  Uani   1.00
C3     C     0.53447   0.52125   1.22643   0.04096  Uani   1.00
C4     C     0.51697   0.53679   1.19091   0.04120  Uani   1.00
C5     C     0.57684   0.56663   1.50521   0.06580  Uani   1.00
C6     C     0.71537   0.62406   1.85284   0.08509  Uani   1.00
C7     C     0.60786   0.57716   1.68151   0.08405  Uani   1.00
C8     C     0.68392   0.61747   1.71517   0.06791  Uani   0.77
C9     C     0.66248   0.58234   1.65013   0.06385  Uani   0.77
C10    C     0.63236   0.57518   1.47041   0.10261  Uani   1.00
O11    O     0.45012   0.48204   0.67530   0.05328  Uani   1.00
C12    C     0.52331   0.49150   1.07792   0.03844  Uani   1.00
C13    C     0.47777   0.49443   0.86375   0.04096  Uani   1.00
C14    C     0.49516   0.47871   0.89959   0.04120  Uani   1.00
C15    C     0.43543   0.44992   0.57497   0.06580  Uani   1.00
C16    C     0.29735   0.39411   0.22406   0.08509  Uani   1.00
C17    C     0.40490   0.44060   0.39415   0.08405  Uani   1.00
C18    C     0.32873   0.40045   0.36161   0.06791  Uani   0.77
C19    C     0.35037   0.43554   0.42769   0.06385  Uani   0.77
C20    C     0.38041   0.44239   0.60714   0.10261  Uani   1.00
O21    O     0.60456   0.42073   0.53803   0.02730  Uani   1.00
O22    O     0.64207   0.41372   0.67508   0.03396  Uani   1.00
N23    N     0.62127   0.40975   0.49344   0.01948  Uani   1.00
O24    O     0.61367   0.39458   1.24698   0.02114  Uani   1.00
O25    O     0.53163   0.26232   1.26634   0.00000  Uani   1.00
C26    C     0.54123   0.47389   1.09229   0.00000  Uani   1.00
C27    C     0.57433   0.49014   1.07258   0.00000  Uani   1.00
Zn28   Zn    0.59813   0.42209   1.04301   0.00000  Uani   1.00
C29    C     0.53289   0.28976   1.15267   0.00000  Uani   1.00
C30    C     0.55764   0.31022   0.95365   0.00000  Uani   1.00
C31    C     0.56401   0.34096   0.90532   0.00000  Uani   1.00
C32    C     0.54598   0.35231   1.05386   0.00000  Uani   1.00
C33    C     0.52043   0.33118   1.24736   0.00000  Uani   1.00
C34    C     0.51422   0.30041   1.29802   0.00000  Uani   1.00
N35    N     0.55437   0.38507   1.02382   0.00000  Uani   1.00
C36    C     0.53232   0.39394   1.04816   0.00000  Uani   1.00
C37    C     0.54361   0.42544   1.08475   0.00000  Uani   1.00
C38    C     0.52566   0.44053   1.09658   0.00000  Uani   1.00
C39    C     0.59058   0.47356   1.07476   0.00000  Uani   1.00
N40    N     0.57485   0.44235   1.09306   0.00000  Uani   1.00
C41    C     0.62226   0.48661   1.03166   0.00000  Uani   1.00
N42    N     0.63323   0.46631   1.00057   0.00000  Uani   1.00
C43    C     0.66616   0.47795   0.93106   0.00000  Uani   1.00
C44    C     0.68318   0.50423   0.72939   0.00000  Uani   1.00
C45    C     0.71559   0.51751   0.69200   0.00000  Uani   1.00
C46    C     0.73166   0.50489   0.85458   0.00000  Uani   1.00
C47    C     0.71522   0.47841   1.05213   0.00000  Uani   1.00
C48    C     0.68266   0.46523   1.08531   0.00000  Uani   1.00
O49    O     0.41765   0.60439   0.38665   0.02730  Uani   1.00
O50    O     0.38438   0.61622   0.53421   0.03396  Uani   1.00
N51    N     0.40394   0.61844   0.34275   0.01948  Uani   1.00
O52    O     0.41331   0.63419   1.10141   0.02114  Uani   1.00
C53    C     0.47288   0.54319   0.97478   0.00000  Uani   1.00
C54    C     0.43982   0.52924   0.99407   0.00000  Uani   1.00
O55    O     0.26331   0.53099   0.52391   0.00000  Uani   1.00
Zn56   Zn    0.42401   0.60259   0.89157   0.00000  Uani   1.00
C57    C     0.50674   0.73592   0.93274   0.00000  Uani   1.00
C58    C     0.48010   0.71806   0.74152   0.00000  Uani   1.00
C59    C     0.46761   0.68546   0.72350   0.00000  Uani   1.00
C60    C     0.48113   0.67027   0.89198   0.00000  Uani   1.00
C61    C     0.50769   0.68885   1.08499   0.00000  Uani   1.00
C62    C     0.52034   0.72130   1.10412   0.00000  Uani   1.00
N63    N     0.46903   0.63673   0.86098   0.00000  Uani   1.00
C64    C     0.48890   0.62510   0.86442   0.00000  Uani   1.00
C65    C     0.47518   0.59353   0.91203   0.00000  Uani   1.00
C66    C     0.49067   0.57613   0.92760   0.00000  Uani   1.00
C67    C     0.42596   0.54810   0.96296   0.00000  Uani   1.00
N68    N     0.44409   0.57919   0.94229   0.00000  Uani   1.00
C69    C     0.39445   0.53748   0.92864   0.00000  Uani   1.00
N70    N     0.38640   0.55972   0.86766   0.00000  Uani   1.00
C71    C     0.35431   0.55117   0.79188   0.00000  Uani   1.00
C72    C     0.33510   0.52477   0.59880   0.00000  Uani   1.00
C73    C     0.30430   0.51716   0.52209   0.00000  Uani   1.00
C74    C     0.29176   0.53511   0.64455   0.00000  Uani   1.00
C75    C     0.31057   0.56103   0.83861   0.00000  Uani   1.00
C76    C     0.34140   0.56896   0.90891   0.00000  Uani   1.00
H77    H     0.52458   0.55897   1.30921   0.00000  Uiso   1.00
H78    H     0.56135   0.56995   1.67645   0.00000  Uiso   1.00
H79    H     0.58116   0.58175   1.28933   0.00000  Uiso   1.00
H80    H     0.72824   0.61814   1.67125   0.00000  Uiso   1.00
H81    H     0.71189   0.61001   2.07517   0.00000  Uiso   1.00
H82    H     0.72976   0.64928   1.91474   0.00000  Uiso   1.00
H83    H     0.60275   0.56204   1.89388   0.00000  Uiso   1.00
H84    H     0.61723   0.60165   1.76578   0.00000  Uiso   1.00
H85    H     0.68825   0.63092   1.48630   0.00000  Uiso   1.00
H86    H     0.67268   0.62602   1.88858   0.00000  Uiso   1.00
H87    H     0.65678   0.56880   1.87921   0.00000  Uiso   1.00
H88    H     0.67535   0.57404   1.49530   0.00000  Uiso   1.00
H89    H     0.63852   0.59190   1.26791   0.00000  Uiso   1.00
H90    H     0.62214   0.55110   1.37354   0.00000  Uiso   1.00
H91    H     0.48748   0.45668   0.77821   0.00000  Uiso   1.00
H92    H     0.43044   0.43425   0.78749   0.00000  Uiso   1.00
H93    H     0.45102   0.44663   0.40491   0.00000  Uiso   1.00
H94    H     0.28283   0.36891   0.16166   0.00000  Uiso   1.00
H95    H     0.30094   0.40822   0.00202   0.00000  Uiso   1.00
H96    H     0.28457   0.40011   0.40592   0.00000  Uiso   1.00
H97    H     0.39529   0.41637   0.30099   0.00000  Uiso   1.00
H98    H     0.41065   0.45669   0.18799   0.00000  Uiso   1.00
H99    H     0.33986   0.39181   0.18786   0.00000  Uiso   1.00
H100   H     0.32430   0.38693   0.59009   0.00000  Uiso   1.00
H101   H     0.33762   0.44392   0.58329   0.00000  Uiso   1.00
H102   H     0.35618   0.44921   0.19917   0.00000  Uiso   1.00
H103   H     0.39070   0.46638   0.70697   0.00000  Uiso   1.00
H104   H     0.37422   0.42553   0.80826   0.00000  Uiso   1.00
H105   H     0.58714   0.51490   1.03533   0.00000  Uiso   1.00
H106   H     0.57293   0.30276   0.84770   0.00000  Uiso   1.00
H107   H     0.58335   0.35553   0.75404   0.00000  Uiso   1.00
H108   H     0.50630   0.33884   1.37552   0.00000  Uiso   1.00
H109   H     0.49577   0.28533   1.46375   0.00000  Uiso   1.00
H110   H     0.50035   0.42666   1.10084   0.00000  Uiso   1.00
H111   H     0.67147   0.51465   0.60165   0.00000  Uiso   1.00
H112   H     0.72836   0.53793   0.53944   0.00000  Uiso   1.00
H113   H     0.75689   0.51636   0.83531   0.00000  Uiso   1.00
H114   H     0.67091   0.44635   1.24997   0.00000  Uiso   1.00
H115   H     0.42522   0.50456   1.03348   0.00000  Uiso   1.00
H116   H     0.51749   0.76115   0.94138   0.00000  Uiso   1.00
H117   H     0.44834   0.67273   0.56382   0.00000  Uiso   1.00
H118   H     0.51858   0.67824   1.22408   0.00000  Uiso   1.00
H119   H     0.54086   0.73518   1.25208   0.00000  Uiso   1.00
H120   H     0.51589   0.58789   0.90140   0.00000  Uiso   1.00
H121   H     0.34424   0.51071   0.49722   0.00000  Uiso   1.00
H122   H     0.29046   0.49776   0.36051   0.00000  Uiso   1.00
H123   H     0.30163   0.57578   0.92592   0.00000  Uiso   1.00
H124   H     0.35484   0.58907   1.05446   0.00000  Uiso   1.00
H125   H     0.50744   0.37730   1.03934   0.00000  Uiso   1.00
H126   H     0.63744   0.51175   1.01582   0.00000  Uiso   1.00
H127   H     0.51406   0.63991   0.84316   0.00000  Uiso   1.00
H128   H     0.37729   0.51271   0.93480   0.00000  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
O1     C3      1.418   .     S
O1     C5      1.437   .     S
C2     C4      1.406   .     A
C2     C13     1.416   .     A
C2     C53     1.513   .     S
C3     C4      1.420   .     A
C3     C12     1.422   .     A
C4     H77     1.079   .     S
C5     C7      1.531   .     S
C5     H78     1.111   .     S
C5     H79     1.111   .     S
C6     C8      1.526   .     S
C6     H80     1.111   .     S
C6     H81     1.109   .     S
C6     H82     1.110   .     S
C7     C10     1.531   .     S
C7     H83     1.095   .     S
C7     H84     1.111   .     S
C8     C9      1.536   .     S
C8     H85     1.111   .     S
C8     H86     1.109   .     S
C9     C10     1.535   .     S
C9     H87     1.109   .     S
C9     H88     1.112   .     S
C10    H89     1.104   .     S
C10    H90     1.107   .     S
O11    C13     1.415   .     S
O11    C15     1.434   .     S
C12    C14     1.411   .     A
C12    C26     1.518   .     S
C13    C14     1.422   .     A
C14    H91     1.078   .     S
C15    C17     1.530   .     S
C15    H92     1.111   .     S
C15    H93     1.110   .     S
C16    C18     1.526   .     S
C16    H94     1.110   .     S
C16    H95     1.109   .     S
C16    H96     1.111   .     S
C17    C20     1.531   .     S
C17    H97     1.111   .     S
C17    H98     1.098   .     S
C18    C19     1.536   .     S
C18    H99     1.109   .     S
C18    H100    1.111   .     S
C19    C20     1.535   .     S
C19    H101    1.112   .     S
C19    H102    1.109   .     S
C20    H103    1.107   .     S
C20    H104    1.104   .     S
O21    N23     1.205   .     S
O21    Zn28    2.111   .     S
O21    Zn28    2.071   1_554 S
O22    N23     1.204   .     D
N23    O24     1.205   1_554 S
O24    Zn28    2.043   .     S
O24    N23     1.205   1_556 S
O25    C29     1.404   .     S
O25    C47     1.408   2_655 S
C26    C27     1.416   .     A
C26    C38     1.426   .     A
C27    C39     1.402   .     A
C27    H105    1.068   .     S
Zn28   N40     1.872   .     S
Zn28   N42     2.002   .     S
Zn28   N35     2.014   .     S
Zn28   O21     2.071   1_556 S
C29    C30     1.396   .     A
C29    C34     1.402   .     A
C30    C31     1.400   .     A
C30    H106    1.083   .     S
C31    C32     1.406   .     A
C31    H107    1.063   .     S
C32    C33     1.413   .     A
C32    N35     1.458   .     S
C33    C34     1.405   .     A
C33    H108    1.082   .     S
C34    H109    1.082   .     S
N35    C36     1.364   .     A
C36    C37     1.371   .     A
C36    H125    1.083   .     S
C37    C38     1.414   .     A
C37    N40     1.336   .     A
C38    H110    1.082   .     S
C39    N40     1.335   .     A
C39    C41     1.371   .     A
C41    N42     1.361   .     A
C41    H126    1.083   .     S
N42    C43     1.454   .     S
C43    C44     1.410   .     A
C43    C48     1.404   .     A
C44    C45     1.400   .     A
C44    H111    1.082   .     S
C45    C46     1.399   .     A
C45    H112    1.082   .     S
C46    C47     1.402   .     A
C46    H113    1.082   .     S
C47    C48     1.405   .     A
C47    O25     1.408   3_665 S
C48    H114    1.060   .     S
O49    N51     1.200   .     S
O49    Zn56    2.113   .     S
O49    Zn56    2.073   1_554 S
O50    N51     1.208   .     D
N51    O52     1.203   1_554 S
O52    Zn56    2.068   .     S
O52    N51     1.203   1_556 S
C53    C54     1.420   .     A
C53    C66     1.422   .     A
C54    C67     1.408   .     A
C54    H115    1.072   .     S
O55    C74     1.404   .     S
O55    C58     1.408   3_565 S
Zn56   N68     1.870   .     S
Zn56   N63     2.010   .     S
Zn56   N70     1.999   .     S
Zn56   O49     2.073   1_556 S
C57    C58     1.402   .     A
C57    C62     1.397   .     A
C57    H116    1.082   .     S
C58    C59     1.407   .     A
C58    O55     1.408   2_665 S
C59    C60     1.410   .     A
C59    H117    1.065   .     S
C60    C61     1.410   .     A
C60    N63     1.456   .     S
C61    C62     1.399   .     A
C61    H118    1.082   .     S
C62    H119    1.082   .     S
N63    C64     1.361   .     A
C64    C65     1.366   .     A
C64    H127    1.084   .     S
C65    C66     1.407   .     A
C65    N68     1.335   .     A
C66    H120    1.083   .     S
C67    N68     1.337   .     A
C67    C69     1.377   .     A
C69    N70     1.364   .     A
C69    H128    1.084   .     S
N70    C71     1.453   .     S
C71    C72     1.411   .     A
C71    C76     1.402   .     A
C72    C73     1.406   .     A
C72    H121    1.082   .     S
C73    C74     1.403   .     A
C73    H122    1.082   .     S
C74    C75     1.396   .     A
C75    C76     1.398   .     A
C75    H123    1.083   .     S
C76    H124    1.061   .     S
