data_CLNF-LIFM2_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                    64.7474
_cell_length_b                    64.7474
_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     0.60813   0.39010   0.41706   0.02731  Uani   1.00
O2     O     0.61272   0.36174   0.56094   0.03397  Uani   1.00
N3     N     0.61645   0.37730   0.37078   0.01949  Uani   1.00
O4     O     0.62851   0.38378   1.12671   0.02115  Uani   1.00
O5     O     0.53231   0.26737   0.76217   0.00000  Uani   1.00
C6     C     0.56630   0.43663   1.01035   0.00000  Uani   1.00
C7     C     0.59097   0.44838   0.93691   0.00000  Uani   1.00
Zn8    Zn    0.60711   0.39500   0.92171   0.00000  Uani   1.00
C9     C     0.54491   0.29258   0.76364   0.00000  Uani   1.00
C10    C     0.56640   0.30638   0.93260   0.00000  Uani   1.00
C11    C     0.57653   0.33114   0.95407   0.00000  Uani   1.00
C12    C     0.56508   0.34282   0.82520   0.00000  Uani   1.00
C13    C     0.54383   0.32904   0.64985   0.00000  Uani   1.00
C14    C     0.53395   0.30429   0.62013   0.00000  Uani   1.00
N15    N     0.57360   0.36779   0.89467   0.00000  Uani   1.00
C16    C     0.55784   0.37525   0.96915   0.00000  Uani   1.00
C17    C     0.56731   0.39939   1.00712   0.00000  Uani   1.00
C18    C     0.55423   0.41133   1.04040   0.00000  Uani   1.00
C19    C     0.60298   0.43541   0.93181   0.00000  Uani   1.00
N20    N     0.59103   0.41192   0.97984   0.00000  Uani   1.00
C21    C     0.62670   0.44455   0.87306   0.00000  Uani   1.00
N22    N     0.63462   0.42866   0.88014   0.00000  Uani   1.00
C23    C     0.66016   0.43713   0.87997   0.00000  Uani   1.00
C24    C     0.67653   0.45962   1.01178   0.00000  Uani   1.00
C25    C     0.70116   0.46899   0.98040   0.00000  Uani   1.00
C26    C     0.71031   0.45611   0.82332   0.00000  Uani   1.00
C27    C     0.69420   0.43347   0.69876   0.00000  Uani   1.00
C28    C     0.66956   0.42391   0.73616   0.00000  Uani   1.00
O29    O     0.39120   0.60870   0.37626   0.02731  Uani   1.00
O30    O     0.38646   0.63803   0.51607   0.03397  Uani   1.00
N31    N     0.38347   0.62217   0.33482   0.01949  Uani   1.00
O32    O     0.37218   0.61695   1.08715   0.02115  Uani   1.00
C33    C     0.43455   0.56404   0.99196   0.00000  Uani   1.00
C34    C     0.40951   0.55231   1.03350   0.00000  Uani   1.00
O35    O     0.26669   0.53573   0.56418   0.00000  Uani   1.00
Zn36   Zn    0.39273   0.60443   0.88117   0.00000  Uani   1.00
C37    C     0.45257   0.70604   0.61418   0.00000  Uani   1.00
C38    C     0.43304   0.69344   0.82397   0.00000  Uani   1.00
C39    C     0.42375   0.66899   0.87827   0.00000  Uani   1.00
C40    C     0.43396   0.65653   0.73541   0.00000  Uani   1.00
C41    C     0.45346   0.66924   0.52502   0.00000  Uani   1.00
C42    C     0.46262   0.69359   0.46750   0.00000  Uani   1.00
N43    N     0.42603   0.63188   0.82047   0.00000  Uani   1.00
C44    C     0.44224   0.62446   0.85259   0.00000  Uani   1.00
C45    C     0.43316   0.60075   0.91609   0.00000  Uani   1.00
C46    C     0.44650   0.58902   0.93366   0.00000  Uani   1.00
C47    C     0.39729   0.56493   0.99243   0.00000  Uani   1.00
N48    N     0.40943   0.58842   0.94698   0.00000  Uani   1.00
C49    C     0.37116   0.55375   0.96969   0.00000  Uani   1.00
N50    N     0.36508   0.57048   0.86092   0.00000  Uani   1.00
C51    C     0.33979   0.56238   0.80102   0.00000  Uani   1.00
C52    C     0.32196   0.53823   0.85030   0.00000  Uani   1.00
C53    C     0.29797   0.53016   0.78148   0.00000  Uani   1.00
C54    C     0.29063   0.54567   0.66357   0.00000  Uani   1.00
C55    C     0.30799   0.56955   0.60880   0.00000  Uani   1.00
C56    C     0.33199   0.57785   0.68667   0.00000  Uani   1.00
O57    O     0.41441   0.51428   0.77941   0.05331  Uani   1.00
C58    C     0.47607   0.52779   1.01430   0.03846  Uani   1.00
C59    C     0.43837   0.52670   0.88731   0.04099  Uani   1.00
C60    C     0.45268   0.51581   0.89533   0.04122  Uani   1.00
H61    H     0.44599   0.49784   0.80896   0.04900  Uiso   1.00
C62    C     0.40444   0.49073   0.64596   0.06584  Uani   1.00
H63    H     0.40767   0.47900   0.80949   0.07900  Uiso   1.00
H64    H     0.41256   0.49166   0.40532   0.07900  Uiso   1.00
C65    C     0.29928   0.45421   0.45330   0.08513  Uani   1.00
H66    H     0.28768   0.43556   0.37017   0.12800  Uiso   0.77
H67    H     0.29618   0.46627   0.29453   0.12800  Uiso   0.23
H68    H     0.29435   0.45580   0.70618   0.12800  Uiso   0.23
C69    C     0.37717   0.47873   0.61351   0.08411  Uani   1.00
H70    H     0.36897   0.47154   0.85310   0.10100  Uiso   1.00
H71    H     0.37098   0.46306   0.45027   0.10100  Uiso   1.00
C72    C     0.32533   0.46056   0.43714   0.06794  Uani   0.77
H73    H     0.32959   0.45795   0.18527   0.08100  Uiso   0.77
H74    H     0.32778   0.44813   0.59688   0.08100  Uiso   0.77
C75    C     0.34195   0.48642   0.54565   0.06387  Uani   0.77
H76    H     0.33933   0.48823   0.80773   0.07600  Uiso   0.77
H77    H     0.33715   0.49844   0.41399   0.07600  Uiso   0.77
C78    C     0.36843   0.49526   0.48011   0.10268  Uani   1.00
H79    H     0.37151   0.49734   0.21633   0.12400  Uiso   1.00
H80    H     0.37866   0.51326   0.58887   0.12400  Uiso   1.00
O81    O     0.50906   0.56306   1.25136   0.05331  Uani   1.00
C82    C     0.44817   0.55063   1.00100   0.03846  Uani   1.00
C83    C     0.48592   0.55148   1.11989   0.04099  Uani   1.00
C84    C     0.47176   0.56238   1.12072   0.04122  Uani   1.00
H85    H     0.47910   0.57998   1.22599   0.04900  Uiso   1.00
C86    C     0.52491   0.58717   1.15084   0.06584  Uani   1.00
H87    H     0.53067   0.59903   1.36622   0.07900  Uiso   1.00
H88    H     0.51641   0.59389   0.97817   0.07900  Uiso   1.00
C89    C     0.62153   0.59653   0.80705   0.08513  Uani   1.00
H90    H     0.61516   0.58540   0.58487   0.12800  Uiso   0.77
H91    H     0.62689   0.58737   0.98814   0.12800  Uiso   0.23
H92    H     0.63740   0.61394   0.74470   0.12800  Uiso   0.23
C93    C     0.54668   0.58871   0.98092   0.08411  Uani   1.00
H94    H     0.55885   0.60741   0.90358   0.10100  Uiso   1.00
H95    H     0.53995   0.57739   0.76464   0.10100  Uiso   1.00
C96    C     0.60201   0.60062   0.94590   0.06794  Uani   0.77
H97    H     0.59830   0.61149   0.77297   0.08100  Uiso   0.77
H98    H     0.60870   0.61100   1.17417   0.08100  Uiso   0.77
C99    C     0.57919   0.57682   1.01304   0.06387  Uani   0.77
H100   H     0.58387   0.56569   1.16817   0.07600  Uiso   0.77
H101   H     0.57173   0.56671   0.78492   0.07600  Uiso   0.77
C102   C     0.56025   0.58001   1.19364   0.10268  Uani   1.00
H103   H     0.54741   0.56238   1.29834   0.12400  Uiso   1.00
H104   H     0.56897   0.59301   1.39183   0.12400  Uiso   1.00
O105   O     0.49297   0.44172   0.83251   0.05331  Uani   1.00
C106   C     0.55319   0.45045   1.03975   0.03846  Uani   1.00
C107   C     0.51627   0.45192   0.95627   0.04099  Uani   1.00
C108   C     0.52925   0.43983   0.93600   0.04122  Uani   1.00
H109   H     0.52076   0.42238   0.82423   0.04900  Uiso   1.00
C110   C     0.47603   0.41791   0.93247   0.06584  Uani   1.00
H111   H     0.48382   0.41045   1.10554   0.07900  Uiso   1.00
H112   H     0.46977   0.40608   0.71678   0.07900  Uiso   1.00
C113   C     0.38392   0.41934   1.27661   0.08513  Uani   1.00
H114   H     0.36685   0.40311   1.34007   0.12800  Uiso   0.77
H115   H     0.38024   0.42977   1.09497   0.12800  Uiso   0.23
H116   H     0.39140   0.43035   1.49798   0.12800  Uiso   0.23
C117   C     0.45476   0.41771   1.09976   0.08411  Uani   1.00
H118   H     0.46176   0.42840   1.32035   0.10100  Uiso   1.00
H119   H     0.44145   0.39916   1.17047   0.10100  Uiso   1.00
C120   C     0.40130   0.41216   1.13793   0.06794  Uani   0.77
H121   H     0.39368   0.40212   0.90932   0.08100  Uiso   0.77
H122   H     0.40317   0.40006   1.31054   0.08100  Uiso   0.77
C123   C     0.42570   0.43422   1.07167   0.06387  Uani   0.77
H124   H     0.43395   0.44378   1.30048   0.07600  Uiso   0.77
H125   H     0.42295   0.44679   0.91838   0.07600  Uiso   0.77
C126   C     0.44276   0.42830   0.88906   0.10268  Uani   1.00
H127   H     0.43287   0.41550   0.69284   0.12400  Uiso   1.00
H128   H     0.45670   0.44529   0.78123   0.12400  Uiso   1.00
O129   O     0.58841   0.48494   1.26660   0.05331  Uani   1.00
C130   C     0.52757   0.47558   1.06889   0.03846  Uani   1.00
C131   C     0.56432   0.47412   1.16616   0.04099  Uani   1.00
C132   C     0.55111   0.48618   1.18093   0.04122  Uani   1.00
H133   H     0.55875   0.50393   1.28062   0.04900  Uiso   1.00
C134   C     0.60067   0.50900   1.38414   0.06584  Uani   1.00
H135   H     0.59513   0.50935   1.63801   0.07900  Uiso   1.00
H136   H     0.59677   0.52077   1.23139   0.07900  Uiso   1.00
C137   C     0.70587   0.54302   1.48176   0.08513  Uani   1.00
H138   H     0.71014   0.54113   1.22660   0.12800  Uiso   0.77
H139   H     0.70906   0.53092   1.63799   0.12800  Uiso   0.23
H140   H     0.71790   0.56169   1.56107   0.12800  Uiso   0.23
C141   C     0.62785   0.51968   1.36594   0.08411  Uani   1.00
H142   H     0.63628   0.53619   1.51502   0.10100  Uiso   1.00
H143   H     0.63372   0.52521   1.11269   0.10100  Uiso   1.00
C144   C     0.67999   0.53713   1.50935   0.06794  Uani   0.77
H145   H     0.67748   0.54964   1.35220   0.08100  Uiso   0.77
H146   H     0.67637   0.53998   1.76351   0.08100  Uiso   0.77
C147   C     0.66280   0.51131   1.40499   0.06387  Uani   0.77
H148   H     0.66778   0.49923   1.53090   0.07600  Uiso   0.77
H149   H     0.66475   0.50937   1.14141   0.07600  Uiso   0.77
C150   C     0.63654   0.50274   1.48425   0.10268  Uani   1.00
H151   H     0.62578   0.48489   1.37187   0.12400  Uiso   1.00
H152   H     0.63406   0.50040   1.74899   0.12400  Uiso   1.00
C153   C     0.51140   0.52315   0.86747   0.03688  Uani   1.00
C154   C     0.48977   0.51492   1.03442   0.03509  Uani   1.00
C155   C     0.48094   0.49393   1.21779   0.03787  Uani   1.00
H156   H     0.46444   0.48728   1.35173   0.04500  Uiso   1.00
C157   C     0.49357   0.48163   1.23549   0.03688  Uani   1.00
C158   C     0.51499   0.48961   1.06521   0.03509  Uani   1.00
C159   C     0.52404   0.51080   0.88512   0.03787  Uani   1.00
H160   H     0.54047   0.51734   0.74941   0.04500  Uiso   1.00
H161   H     0.51797   0.53856   0.71306   0.00000  Uiso   1.00
H162   H     0.48697   0.46618   1.38813   0.00000  Uiso   1.00
H163   H     0.60053   0.46700   0.87650   0.00000  Uiso   1.00
H164   H     0.57501   0.29813   1.05957   0.00000  Uiso   1.00
H165   H     0.59272   0.34074   1.08498   0.00000  Uiso   1.00
H166   H     0.53461   0.33735   0.54020   0.00000  Uiso   1.00
H167   H     0.51727   0.29404   0.49126   0.00000  Uiso   1.00
H168   H     0.53877   0.36310   0.98101   0.00000  Uiso   1.00
H169   H     0.53517   0.40110   1.08042   0.00000  Uiso   1.00
H170   H     0.63842   0.46342   0.83321   0.00000  Uiso   1.00
H171   H     0.67037   0.47018   1.13771   0.00000  Uiso   1.00
H172   H     0.71325   0.48659   1.07527   0.00000  Uiso   1.00
H173   H     0.70057   0.42337   0.56529   0.00000  Uiso   1.00
H174   H     0.65829   0.40648   0.64275   0.00000  Uiso   1.00
H175   H     0.39948   0.53376   1.09200   0.00000  Uiso   1.00
H176   H     0.42551   0.70242   0.95868   0.00000  Uiso   1.00
H177   H     0.40942   0.66037   1.04596   0.00000  Uiso   1.00
H178   H     0.46175   0.66039   0.40477   0.00000  Uiso   1.00
H179   H     0.47783   0.70295   0.30814   0.00000  Uiso   1.00
H180   H     0.46126   0.63645   0.82811   0.00000  Uiso   1.00
H181   H     0.46555   0.59903   0.89228   0.00000  Uiso   1.00
H182   H     0.36333   0.54696   1.21296   0.00000  Uiso   1.00
H183   H     0.32619   0.52512   0.94103   0.00000  Uiso   1.00
H184   H     0.28496   0.51150   0.81653   0.00000  Uiso   1.00
H185   H     0.30309   0.58177   0.50177   0.00000  Uiso   1.00
H186   H     0.34393   0.59637   0.65280   0.00000  Uiso   1.00
H187   H     0.36475   0.53882   0.79375   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     N3      1.208   .     S
O1     Zn8     2.110   .     S
O1     Zn8     2.072   1_554 S
O2     N3      1.202   .     D
N3     O4      1.212   1_554 S
O4     Zn8     2.041   .     S
O4     N3      1.212   1_556 S
O5     C9      1.413   .     S
O5     C26     1.412   2_655 S
C6     C7      1.417   .     A
C6     C18     1.425   .     A
C6     C106    1.514   .     S
C7     C19     1.401   .     A
C7     H163    1.074   .     S
Zn8    N20     1.866   .     S
Zn8    N15     2.001   .     S
Zn8    N22     2.017   .     S
Zn8    O1      2.072   1_556 S
C9     C10     1.406   .     A
C9     C14     1.402   .     A
C10    C11     1.399   .     A
C10    H164    1.080   .     S
C11    C12     1.401   .     A
C11    H165    1.061   .     S
C12    C13     1.409   .     A
C12    N15     1.452   .     S
C13    C14     1.402   .     A
C13    H166    1.082   .     S
C14    H167    1.083   .     S
N15    C16     1.364   .     A
C16    C17     1.373   .     A
C16    H168    1.083   .     S
C17    C18     1.410   .     A
C17    N20     1.336   .     A
C18    H169    1.082   .     S
C19    N20     1.332   .     A
C19    C21     1.363   .     A
C21    N22     1.360   .     A
C21    H170    1.081   .     S
N22    C23     1.459   .     S
C23    C24     1.413   .     A
C23    C28     1.406   .     A
C24    C25     1.400   .     A
C24    H171    1.081   .     S
C25    C26     1.400   .     A
C25    H172    1.083   .     S
C26    C27     1.404   .     A
C26    O5      1.412   3_665 S
C27    C28     1.401   .     A
C27    H173    1.082   .     S
C28    H174    1.063   .     S
O29    N31     1.216   .     S
O29    Zn36    2.108   .     S
O29    Zn36    2.068   1_554 S
O30    N31     1.204   .     D
N31    O32     1.202   1_554 S
O32    Zn36    2.056   .     S
O32    N31     1.202   1_556 S
C33    C34     1.415   .     A
C33    C46     1.421   .     A
C33    C82     1.516   .     S
C34    C47     1.403   .     A
C34    H175    1.069   .     S
O35    C54     1.410   .     S
O35    C37     1.413   3_565 S
Zn36   N48     1.854   .     S
Zn36   N43     2.010   .     S
Zn36   N50     2.027   .     S
Zn36   O29     2.068   1_556 S
C37    C38     1.407   .     A
C37    C42     1.401   .     A
C37    O35     1.413   2_665 S
C38    C39     1.402   .     A
C38    H176    1.080   .     S
C39    C40     1.403   .     A
C39    H177    1.064   .     S
C40    C41     1.408   .     A
C40    N43     1.454   .     S
C41    C42     1.400   .     A
C41    H178    1.082   .     S
C42    H179    1.083   .     S
N43    C44     1.361   .     A
C44    C45     1.367   .     A
C44    H180    1.083   .     S
C45    C46     1.408   .     A
C45    N48     1.337   .     A
C46    H181    1.083   .     S
C47    N48     1.331   .     A
C47    C49     1.473   .     S
C49    N50     1.398   .     A
C49    H182    1.110   .     S
C49    H187    1.110   .     S
N50    C51     1.469   .     S
C51    C52     1.419   .     A
C51    C56     1.410   .     A
C52    C53     1.398   .     A
C52    H183    1.080   .     S
C53    C54     1.395   .     A
C53    H184    1.083   .     S
C54    C55     1.403   .     A
C55    C56     1.404   .     A
C55    H185    1.082   .     S
C56    H186    1.062   .     S
O57    C59     1.415   .     S
O57    C62     1.435   .     S
C58    C60     1.400   .     A
C58    C83     1.404   .     A
C58    C154    1.492   .     S
C59    C60     1.418   .     A
C59    C82     1.428   .     A
C60    H61     1.079   .     S
C62    H63     1.111   .     S
C62    H64     1.110   .     S
C62    C69     1.538   .     S
C65    H66     1.110   .     S
C65    H67     1.111   .     S
C65    H68     1.110   .     S
C65    C72     1.525   .     S
C69    H70     1.107   .     S
C69    H71     1.112   .     S
C69    C78     1.541   .     S
C72    H73     1.109   .     S
C72    H74     1.111   .     S
C72    C75     1.536   .     S
C75    H76     1.109   .     S
C75    H77     1.113   .     S
C75    C78     1.536   .     S
C78    H79     1.101   .     S
C78    H80     1.107   .     S
O81    C83     1.406   .     S
O81    C86     1.435   .     S
C82    C84     1.412   .     A
C83    C84     1.409   .     A
C84    H85     1.082   .     S
C86    H87     1.109   .     S
C86    H88     1.113   .     S
C86    C93     1.532   .     S
C89    H90     1.109   .     S
C89    H91     1.111   .     S
C89    H92     1.111   .     S
C89    C96     1.527   .     S
C93    H94     1.111   .     S
C93    H95     1.097   .     S
C93    C102    1.534   .     S
C96    H97     1.109   .     S
C96    H98     1.111   .     S
C96    C99     1.536   .     S
C99    H100    1.112   .     S
C99    H101    1.109   .     S
C99    C102    1.535   .     S
C102   H103    1.110   .     S
C102   H104    1.104   .     S
O105   C107    1.406   .     S
O105   C110    1.435   .     S
C106   C108    1.412   .     A
C106   C131    1.427   .     A
C107   C108    1.408   .     A
C107   C130    1.406   .     A
C108   H109    1.082   .     S
C110   H111    1.113   .     S
C110   H112    1.109   .     S
C110   C117    1.535   .     S
C113   H114    1.110   .     S
C113   H115    1.111   .     S
C113   H116    1.109   .     S
C113   C120    1.528   .     S
C117   H118    1.094   .     S
C117   H119    1.111   .     S
C117   C126    1.536   .     S
C120   H121    1.110   .     S
C120   H122    1.109   .     S
C120   C123    1.534   .     S
C123   H124    1.108   .     S
C123   H125    1.112   .     S
C123   C126    1.536   .     S
C126   H127    1.105   .     S
C126   H128    1.109   .     S
O129   C131    1.415   .     S
O129   C134    1.433   .     S
C130   C132    1.400   .     A
C130   C158    1.493   .     S
C131   C132    1.419   .     A
C132   H133    1.080   .     S
C134   H135    1.110   .     S
C134   H136    1.110   .     S
C134   C141    1.538   .     S
C137   H138    1.110   .     S
C137   H139    1.111   .     S
C137   H140    1.110   .     S
C137   C144    1.526   .     S
C141   H142    1.111   .     S
C141   H143    1.107   .     S
C141   C150    1.541   .     S
C144   H145    1.111   .     S
C144   H146    1.109   .     S
C144   C147    1.536   .     S
C147   H148    1.112   .     S
C147   H149    1.108   .     S
C147   C150    1.537   .     S
C150   H151    1.109   .     S
C150   H152    1.102   .     S
C153   C154    1.404   .     A
C153   C159    1.404   .     A
C153   H161    1.076   .     S
C154   C155    1.403   .     A
C155   H156    1.082   .     S
C155   C157    1.400   .     A
C157   C158    1.402   .     A
C157   H162    1.073   .     S
C158   C159    1.405   .     A
C159   H160    1.083   .     S
