#------------------------------------------------------------------------------
#$Date: 2018-09-02 04:34:02 +0300 (Sun, 02 Sep 2018) $
#$Revision: 210347 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/62/4316282.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4316282
loop_
_publ_author_name
'Hijazi, Ismail'
'Roisnel, Thierry'
'Even-Hernandez, Pascale'
'Geneste, Florence'
'Cador, Olivier'
'Guizouarn, Thierry'
'Boitrel, Bernard'
_publ_section_title
;
 Structural Characterization of Zinc and Iron (II/III) Complexes of a
 Porphyrin Bearing Two Built-in Nitrogen Bases. An Example of High-Spin
 Diaqua-Iron(III) Bromo Complex
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   16
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7536
_journal_page_last               7544
_journal_paper_doi               10.1021/ic1009384
_journal_volume                  49
_journal_year                    2010
_chemical_absolute_configuration ad
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         '2(C88 H64 N12 O4 Zn)'
_chemical_formula_sum            'C88 H64 N12 O4 Zn'
_chemical_formula_weight         1418.88
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      29
_symmetry_space_group_name_Hall  'P 2c -2b'
_symmetry_space_group_name_H-M   'P b c 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2009-11-25T14:25:05-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.704(4)
_cell_length_b                   23.194(4)
_cell_length_c                   35.517(7)
_cell_measurement_reflns_used    2949
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.6
_cell_measurement_theta_min      2.46
_cell_measurement_wavelength     0.71073
_cell_volume                     16232(5)
_computing_cell_refinement       'Bruker SMART (Bruker, 2002)'
_computing_data_collection       'Bruker SAINT (Bruker, 2002)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2002)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1602
_diffrn_reflns_av_unetI/netI     0.3721
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            69146
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    0.359
_exptl_absorpt_correction_T_max  0.993
_exptl_absorpt_correction_T_min  0.077
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.161
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blade
_exptl_crystal_F_000             5904
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.02
_platon_squeeze_details
;
;
_refine_diff_density_max         0.869
_refine_diff_density_min         -1.431
_refine_diff_density_rms         0.123
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.34(2)
_refine_ls_extinction_coef       0.00460(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.891
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     855
_refine_ls_number_reflns         32443
_refine_ls_number_restraints     61
_refine_ls_restrained_S_all      0.891
_refine_ls_R_factor_all          0.2359
_refine_ls_R_factor_gt           0.1041
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0961P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2175
_refine_ls_wR_factor_ref         0.2555
_reflns_number_gt                11540
_reflns_number_total             32443
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1009384_si_001.cif
_cod_data_source_block           dipyZn
_cod_database_code               4316282
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y+1/2, z'
'x, -y+1/2, z+1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.98824(6) 0.01191(4) 0.64017(3) 0.01995(19) Uani 1 1 d . . .
N1 N 1.0817(4) 0.0210(3) 0.6655(2) 0.0180(10) Uani 1 1 d . . .
N2 N 1.0354(4) -0.0258(3) 0.5951(2) 0.0180(10) Uani 1 1 d . . .
N3 N 0.9071(4) 0.0273(3) 0.6046(2) 0.0180(10) Uani 1 1 d . . .
N4 N 0.9528(4) 0.0756(3) 0.6759(2) 0.0180(10) Uani 1 1 d . . .
C1 C 1.1439(6) -0.0033(4) 0.6546(3) 0.0220(6) Uani 1 1 d . . .
C2 C 1.1536(6) -0.0352(4) 0.6207(3) 0.0220(6) Uani 1 1 d . . .
C3 C 1.1025(6) -0.0460(4) 0.5935(3) 0.0220(6) Uani 1 1 d . . .
C4 C 1.1117(6) -0.0824(4) 0.5600(3) 0.0220(6) Uani 1 1 d . . .
H4 H 1.1522 -0.1014 0.5525 0.026 Uiso 1 1 calc R . .
C5 C 1.0538(5) -0.0834(4) 0.5427(3) 0.0220(6) Uani 1 1 d . . .
H5 H 1.0446 -0.1039 0.5202 0.026 Uiso 1 1 calc R . .
C6 C 1.0042(5) -0.0476(4) 0.5635(3) 0.0220(6) Uani 1 1 d . . .
C7 C 0.9380(6) -0.0356(4) 0.5512(3) 0.0220(6) Uani 1 1 d . . .
C8 C 0.8930(6) 0.0026(4) 0.5717(3) 0.0220(6) Uani 1 1 d . . .
C9 C 0.8305(5) 0.0198(3) 0.5565(3) 0.0220(6) Uani 1 1 d . . .
H9 H 0.8111 0.0073 0.5334 0.026 Uiso 1 1 calc R . .
C10 C 0.8035(6) 0.0572(4) 0.5809(3) 0.0220(6) Uani 1 1 d . . .
H10 H 0.7613 0.0767 0.5782 0.026 Uiso 1 1 calc R . .
C11 C 0.8501(6) 0.0625(4) 0.6121(3) 0.0220(6) Uani 1 1 d . . .
C12 C 0.8443(5) 0.0979(4) 0.6449(3) 0.0220(6) Uani 1 1 d . . .
C13 C 0.8898(6) 0.1023(4) 0.6725(3) 0.0220(6) Uani 1 1 d . . .
C14 C 0.8798(6) 0.1398(4) 0.7061(3) 0.0220(6) Uani 1 1 d . . .
H14 H 0.8411 0.1628 0.7116 0.026 Uiso 1 1 calc R . .
C15 C 0.9371(5) 0.1348(4) 0.7274(3) 0.0220(6) Uani 1 1 d . . .
H15 H 0.9455 0.1532 0.7508 0.026 Uiso 1 1 calc R . .
C16 C 0.9830(6) 0.0959(4) 0.7076(3) 0.0220(6) Uani 1 1 d . . .
C17 C 1.0516(6) 0.0866(4) 0.7175(3) 0.0220(6) Uani 1 1 d . . .
C18 C 1.0976(6) 0.0521(4) 0.6980(3) 0.0220(6) Uani 1 1 d . . .
C19 C 1.1677(5) 0.0484(4) 0.7060(3) 0.0220(6) Uani 1 1 d . . .
H19 H 1.1897 0.0665 0.7267 0.026 Uiso 1 1 calc R . .
C20 C 1.1998(6) 0.0141(3) 0.6790(3) 0.0220(6) Uani 1 1 d . . .
H20 H 1.2466 0.0045 0.6771 0.026 Uiso 1 1 calc R . .
C21 C 1.2239(6) -0.0505(4) 0.6093(3) 0.0288(12) Uani 1 1 d D . .
C22 C 1.2545(5) -0.0270(4) 0.5791(3) 0.0288(12) Uani 1 1 d D . .
H22 H 1.2293 -0.0008 0.564 0.035 Uiso 1 1 calc R . .
C23 C 1.3183(6) -0.0387(4) 0.5691(3) 0.0288(12) Uani 1 1 d D . .
H23 H 1.3371 -0.0212 0.5473 0.035 Uiso 1 1 calc R . .
C24 C 1.3581(6) -0.0770(4) 0.5907(3) 0.0288(12) Uani 1 1 d D . .
H24 H 1.404 -0.0847 0.5841 0.035 Uiso 1 1 calc R . .
C25 C 1.3319(6) -0.1004(4) 0.6186(3) 0.0288(12) Uani 1 1 d D . .
H25 H 1.3586 -0.1268 0.6327 0.035 Uiso 1 1 calc R . .
C26 C 1.2638(6) -0.0900(4) 0.6307(3) 0.0288(12) Uani 1 1 d D . .
N27 N 1.2362(5) -0.1197(3) 0.6633(2) 0.0296(12) Uani 1 1 d . . .
H27 H 1.1935 -0.1308 0.6625 0.036 Uiso 1 1 calc R . .
C28 C 1.2721(6) -0.1313(4) 0.6945(3) 0.0235(14) Uani 1 1 d . . .
O29 O 1.3279(4) -0.1086(3) 0.7003(2) 0.0450(11) Uani 1 1 d . . .
C30 C 1.2416(6) -0.1732(4) 0.7214(3) 0.0252(11) Uani 1 1 d D . .
C31 C 1.2852(6) -0.2178(4) 0.7354(3) 0.0252(11) Uani 1 1 d D . .
H31 H 1.3318 -0.219 0.7284 0.03 Uiso 1 1 calc R . .
C32 C 1.2579(5) -0.2599(4) 0.7596(3) 0.0252(11) Uani 1 1 d D . .
H32 H 1.2856 -0.2902 0.769 0.03 Uiso 1 1 calc R . .
C33 C 1.1930(6) -0.2566(4) 0.7690(3) 0.0252(11) Uani 1 1 d D . .
H33 H 1.1754 -0.2857 0.785 0.03 Uiso 1 1 calc R . .
C34 C 1.1484(6) -0.2131(4) 0.7571(3) 0.0252(11) Uani 1 1 d D . .
C35 C 1.1758(6) -0.1719(4) 0.7329(3) 0.0252(11) Uani 1 1 d D . .
H35 H 1.1474 -0.1417 0.7242 0.03 Uiso 1 1 calc R . .
C36 C 1.0820(5) -0.2080(4) 0.7749(3) 0.0250(11) Uani 1 1 d . . .
H36A H 1.0881 -0.1929 0.8007 0.03 Uiso 1 1 calc R . .
H36B H 1.0617 -0.247 0.777 0.03 Uiso 1 1 calc R . .
N37 N 1.0333(4) -0.1694(3) 0.7540(2) 0.0243(16) Uani 1 1 d . . .
C41 C 1.0795(5) 0.1213(4) 0.7489(3) 0.0241(11) Uani 1 1 d D . .
C42 C 1.1101(5) 0.1758(4) 0.7392(3) 0.0241(11) Uani 1 1 d D . .
H42 H 1.1145 0.1855 0.7134 0.029 Uiso 1 1 calc R . .
C43 C 1.1335(5) 0.2149(4) 0.7662(3) 0.0241(11) Uani 1 1 d D . .
H43 H 1.1545 0.2498 0.7585 0.029 Uiso 1 1 calc R . .
C44 C 1.1261(5) 0.2030(4) 0.8036(3) 0.0241(11) Uani 1 1 d D . .
H44 H 1.1415 0.2302 0.8217 0.029 Uiso 1 1 calc R . .
C45 C 1.0946(5) 0.1487(4) 0.8165(3) 0.0241(11) Uani 1 1 d D . .
H45 H 1.0877 0.1413 0.8425 0.029 Uiso 1 1 calc R . .
C46 C 1.0748(5) 0.1075(4) 0.7886(3) 0.0241(11) Uani 1 1 d D . .
N47 N 1.0450(4) 0.0550(3) 0.7977(3) 0.0296(12) Uani 1 1 d . . .
H47 H 1.0379 0.031 0.7789 0.036 Uiso 1 1 calc R . .
C48 C 1.0262(6) 0.0372(4) 0.8312(3) 0.0235(14) Uani 1 1 d . . .
O49 O 1.0188(4) 0.0692(3) 0.8587(2) 0.0450(11) Uani 1 1 d . . .
C50 C 1.0122(5) -0.0264(4) 0.8355(3) 0.0302(12) Uani 1 1 d D . .
C51 C 1.0138(5) -0.0481(4) 0.8732(3) 0.0302(12) Uani 1 1 d D . .
H51 H 1.0204 -0.0226 0.8939 0.036 Uiso 1 1 calc R . .
C52 C 1.0055(5) -0.1072(4) 0.8794(3) 0.0302(12) Uani 1 1 d D . .
H52 H 1.0078 -0.1225 0.9041 0.036 Uiso 1 1 calc R . .
C53 C 0.9937(5) -0.1435(4) 0.8486(3) 0.0302(12) Uani 1 1 d D . .
H53 H 0.9868 -0.1835 0.8526 0.036 Uiso 1 1 calc R . .
C54 C 0.9922(6) -0.1216(4) 0.8118(3) 0.0302(12) Uani 1 1 d D . .
C55 C 1.0008(6) -0.0622(4) 0.8062(3) 0.0302(12) Uani 1 1 d D . .
H55 H 0.9986 -0.047 0.7814 0.036 Uiso 1 1 calc R . .
C56 C 0.9721(6) -0.1592(4) 0.7791(3) 0.0250(11) Uani 1 1 d . . .
H56A H 0.9356 -0.1403 0.7645 0.03 Uiso 1 1 calc R . .
H56B H 0.9546 -0.1966 0.7885 0.03 Uiso 1 1 calc R . .
C61 C 1.0128(6) -0.1949(4) 0.7181(3) 0.0250(11) Uani 1 1 d . . .
H61A H 0.9897 -0.2321 0.7228 0.03 Uiso 1 1 calc R . .
H61B H 1.0535 -0.2025 0.7025 0.03 Uiso 1 1 calc R . .
C62 C 0.9652(6) -0.1549(4) 0.6970(3) 0.0252(12) Uani 1 1 d D . .
C63 C 0.8958(5) -0.1678(4) 0.6930(3) 0.0252(12) Uani 1 1 d D . .
H63 H 0.8778 -0.2032 0.702 0.03 Uiso 1 1 calc R . .
C64 C 0.8522(6) -0.1255(4) 0.6746(3) 0.0252(12) Uani 1 1 d D . .
H64 H 0.8049 -0.1316 0.6715 0.03 Uiso 1 1 calc R . .
C65 C 0.8835(6) -0.0768(4) 0.6623(3) 0.0252(12) Uani 1 1 d D . .
H65 H 0.8553 -0.049 0.6505 0.03 Uiso 1 1 calc R . .
N66 N 0.9493(5) -0.0636(3) 0.6649(2) 0.0206(12) Uani 1 1 d D . .
C67 C 0.9913(6) -0.1017(4) 0.6837(3) 0.0252(12) Uani 1 1 d D . .
H67 H 1.0376 -0.0923 0.6876 0.03 Uiso 1 1 calc R . .
C71 C 0.9159(6) -0.0588(4) 0.5147(3) 0.0313(12) Uani 1 1 d D . .
C72 C 0.8678(5) -0.1028(4) 0.5142(3) 0.0313(12) Uani 1 1 d D . .
H72 H 0.8451 -0.1133 0.5368 0.038 Uiso 1 1 calc R . .
C73 C 0.8521(6) -0.1328(4) 0.4794(3) 0.0313(12) Uani 1 1 d D . .
H73 H 0.8199 -0.1632 0.4786 0.038 Uiso 1 1 calc R . .
C74 C 0.8865(5) -0.1148(4) 0.4473(3) 0.0313(12) Uani 1 1 d D . .
H74 H 0.8779 -0.1338 0.4241 0.038 Uiso 1 1 calc R . .
C75 C 0.9306(6) -0.0724(4) 0.4482(3) 0.0313(12) Uani 1 1 d D . .
H75 H 0.9535 -0.0619 0.4257 0.038 Uiso 1 1 calc R . .
C76 C 0.9452(6) -0.0417(4) 0.4819(3) 0.0313(12) Uani 1 1 d D . .
N77 N 0.9932(5) 0.0038(3) 0.4819(2) 0.0296(12) Uani 1 1 d . . .
H77 H 1.0363 -0.0037 0.4776 0.036 Uiso 1 1 calc R . .
C78 C 0.9739(6) 0.0560(4) 0.4883(3) 0.0235(14) Uani 1 1 d . . .
O79 O 0.9114(4) 0.0708(3) 0.4862(2) 0.0450(11) Uani 1 1 d . . .
C80 C 1.0246(7) 0.1022(4) 0.4991(3) 0.0376(13) Uani 1 1 d D . .
C81 C 1.0142(6) 0.1588(4) 0.4862(3) 0.0376(13) Uani 1 1 d D . .
H81 H 0.9779 0.1683 0.4698 0.045 Uiso 1 1 calc R . .
C82 C 1.0610(6) 0.2014(4) 0.4991(3) 0.0376(13) Uani 1 1 d D . .
H82 H 1.0578 0.2397 0.4897 0.045 Uiso 1 1 calc R . .
C83 C 1.1097(6) 0.1885(4) 0.5243(3) 0.0376(13) Uani 1 1 d D . .
H83 H 1.1378 0.2183 0.534 0.045 Uiso 1 1 calc R . .
C84 C 1.1195(6) 0.1326(4) 0.5363(3) 0.0376(13) Uani 1 1 d D . .
C85 C 1.0778(6) 0.0893(4) 0.5240(3) 0.0376(13) Uani 1 1 d D . .
H85 H 1.0848 0.0508 0.5322 0.045 Uiso 1 1 calc R . .
C86 C 1.1745(5) 0.1168(4) 0.5669(3) 0.0250(11) Uani 1 1 d . . .
H86A H 1.1604 0.0811 0.58 0.03 Uiso 1 1 calc R . .
H86B H 1.2182 0.1089 0.5541 0.03 Uiso 1 1 calc R . .
N87 N 1.1851(4) 0.1643(3) 0.5961(2) 0.0243(16) Uani 1 1 d . . .
C91 C 0.7842(6) 0.1389(4) 0.6445(3) 0.0310(12) Uani 1 1 d D . .
C92 C 0.7187(6) 0.1219(4) 0.6543(3) 0.0310(12) Uani 1 1 d D . .
H92 H 0.71 0.0827 0.6603 0.037 Uiso 1 1 calc R . .
C93 C 0.6656(6) 0.1620(4) 0.6554(3) 0.0310(12) Uani 1 1 d D . .
H93 H 0.6216 0.1508 0.6635 0.037 Uiso 1 1 calc R . .
C94 C 0.6777(6) 0.2165(4) 0.6449(3) 0.0310(12) Uani 1 1 d D . .
H94 H 0.6416 0.2436 0.6436 0.037 Uiso 1 1 calc R . .
C95 C 0.7442(6) 0.2333(4) 0.6358(3) 0.0310(12) Uani 1 1 d D . .
H95 H 0.7529 0.2723 0.6293 0.037 Uiso 1 1 calc R . .
C96 C 0.7939(6) 0.1967(4) 0.6360(3) 0.0310(12) Uani 1 1 d D . .
N97 N 0.8624(5) 0.2117(3) 0.6223(3) 0.0296(12) Uani 1 1 d . . .
H97 H 0.8836 0.1859 0.6085 0.036 Uiso 1 1 calc R . .
C98 C 0.8954(6) 0.2616(4) 0.6291(3) 0.0235(14) Uani 1 1 d . . .
O99 O 0.8683(4) 0.3044(3) 0.6419(2) 0.0450(11) Uani 1 1 d . . .
C100 C 0.9683(6) 0.2627(4) 0.6169(3) 0.0292(12) Uani 1 1 d D . .
C101 C 0.9997(6) 0.3135(4) 0.6064(3) 0.0292(12) Uani 1 1 d D . .
H101 H 0.9734 0.3475 0.6037 0.035 Uiso 1 1 calc R . .
C102 C 1.0659(6) 0.3156(4) 0.6000(3) 0.0292(12) Uani 1 1 d D . .
H102 H 1.0853 0.3519 0.5939 0.035 Uiso 1 1 calc R . .
C103 C 1.1085(6) 0.2682(4) 0.6016(3) 0.0292(12) Uani 1 1 d D . .
H103 H 1.1547 0.2704 0.5941 0.035 Uiso 1 1 calc R . .
C104 C 1.0793(6) 0.2166(4) 0.6150(3) 0.0292(12) Uani 1 1 d D . .
C105 C 1.0101(6) 0.2139(4) 0.6241(3) 0.0292(12) Uani 1 1 d D . .
H105 H 0.9914 0.18 0.6348 0.035 Uiso 1 1 calc R . .
C106 C 1.1267(5) 0.1642(4) 0.6219(3) 0.0250(11) Uani 1 1 d . . .
H10A H 1.1432 0.165 0.6482 0.03 Uiso 1 1 calc R . .
H10B H 1.1006 0.1281 0.6183 0.03 Uiso 1 1 calc R . .
C111 C 1.2489(5) 0.1508(4) 0.6175(3) 0.0250(11) Uani 1 1 d . . .
H11A H 1.2411 0.1168 0.6338 0.03 Uiso 1 1 calc R . .
H11B H 1.2856 0.1411 0.5996 0.03 Uiso 1 1 calc R . .
C112 C 1.2694(5) 0.1991(5) 0.6404(4) 0.0385(14) Uani 1 1 d D . .
C113 C 1.2671(5) 0.1999(5) 0.6802(3) 0.0385(14) Uani 1 1 d D . .
H113 H 1.2525 0.1665 0.6934 0.046 Uiso 1 1 calc R . .
C114 C 1.2866(5) 0.2507(4) 0.7010(4) 0.0385(14) Uani 1 1 d D . .
H114 H 1.2856 0.2518 0.7278 0.046 Uiso 1 1 calc R . .
C115 C 1.3058(6) 0.2955(5) 0.6807(3) 0.0385(14) Uani 1 1 d D . .
H115 H 1.3198 0.3288 0.6942 0.046 Uiso 1 1 calc R . .
N116 N 1.3075(5) 0.2989(4) 0.6424(3) 0.0432(15) Uani 1 1 d D . .
C117 C 1.2898(6) 0.2523(5) 0.6232(4) 0.0385(14) Uani 1 1 d D . .
H117 H 1.2907 0.2542 0.5965 0.046 Uiso 1 1 calc R . .
Zn2 Zn 0.51087(6) 0.21803(4) 0.84979(3) 0.01995(19) Uani 1 1 d . . .
N201 N 0.4625(4) 0.2560(3) 0.8951(2) 0.0240(11) Uani 1 1 d . . .
N202 N 0.5930(4) 0.2003(3) 0.8841(2) 0.0240(11) Uani 1 1 d . . .
N203 N 0.5463(5) 0.1555(3) 0.8121(2) 0.0240(11) Uani 1 1 d . . .
N204 N 0.4182(5) 0.2113(3) 0.8248(2) 0.0240(11) Uani 1 1 d . . .
C201 C 0.3978(6) 0.2747(4) 0.8973(3) 0.0269(6) Uani 1 1 d . . .
C202 C 0.3497(6) 0.2646(4) 0.8714(3) 0.0269(6) Uani 1 1 d . . .
C203 C 0.3569(6) 0.2332(4) 0.8376(3) 0.0269(6) Uani 1 1 d . . .
C204 C 0.3040(6) 0.2188(4) 0.8109(3) 0.0269(6) Uani 1 1 d . . .
H204 H 0.2584 0.2319 0.8121 0.032 Uiso 1 1 calc R . .
C205 C 0.3296(5) 0.1841(4) 0.7845(3) 0.0269(6) Uani 1 1 d . . .
H205 H 0.3062 0.1653 0.7647 0.032 Uiso 1 1 calc R . .
C206 C 0.3999(6) 0.1819(4) 0.7931(3) 0.0269(6) Uani 1 1 d . . .
C207 C 0.4476(6) 0.1465(4) 0.7713(3) 0.0269(6) Uani 1 1 d . . .
C208 C 0.5163(6) 0.1380(4) 0.7801(3) 0.0269(6) Uani 1 1 d . . .
C209 C 0.5621(6) 0.1008(4) 0.7595(3) 0.0269(6) Uani 1 1 d . . .
H209 H 0.5532 0.083 0.7359 0.032 Uiso 1 1 calc R . .
C210 C 0.6169(6) 0.0962(4) 0.7788(3) 0.0269(6) Uani 1 1 d . . .
H210 H 0.6555 0.0742 0.7718 0.032 Uiso 1 1 calc R . .
C211 C 0.6103(6) 0.1302(4) 0.8132(3) 0.0269(6) Uani 1 1 d . . .
C212 C 0.6559(5) 0.1326(4) 0.8437(3) 0.0269(6) Uani 1 1 d . . .
C213 C 0.6477(6) 0.1650(4) 0.8761(3) 0.0269(6) Uani 1 1 d . . .
C214 C 0.6966(6) 0.1651(4) 0.9073(3) 0.0269(6) Uani 1 1 d . . .
H214 H 0.7387 0.1451 0.908 0.032 Uiso 1 1 calc R . .
C215 C 0.6711(5) 0.1988(4) 0.9349(3) 0.0269(6) Uani 1 1 d . . .
H215 H 0.6904 0.2061 0.9589 0.032 Uiso 1 1 calc R . .
C216 C 0.6052(6) 0.2222(4) 0.9192(3) 0.0269(6) Uani 1 1 d . . .
C217 C 0.5588(6) 0.2583(4) 0.9396(3) 0.0269(6) Uani 1 1 d . . .
C218 C 0.4940(5) 0.2728(4) 0.9284(3) 0.0269(6) Uani 1 1 d . . .
C219 C 0.4514(6) 0.3062(4) 0.9506(3) 0.0269(6) Uani 1 1 d . . .
H219 H 0.4617 0.324 0.974 0.032 Uiso 1 1 calc R . .
C220 C 0.3898(6) 0.3078(4) 0.9309(3) 0.0269(6) Uani 1 1 d . . .
H220 H 0.3498 0.3275 0.9385 0.032 Uiso 1 1 calc R . .
C221 C 0.2761(5) 0.2811(4) 0.8817(3) 0.0264(11) Uani 1 1 d D . .
C222 C 0.2466(5) 0.2587(4) 0.9133(3) 0.0264(11) Uani 1 1 d D . .
H222 H 0.2728 0.2324 0.9278 0.032 Uiso 1 1 calc R . .
C223 C 0.1813(5) 0.2711(4) 0.9260(3) 0.0264(11) Uani 1 1 d D . .
H223 H 0.1632 0.2532 0.9479 0.032 Uiso 1 1 calc R . .
C224 C 0.1452(6) 0.3094(4) 0.9060(3) 0.0264(11) Uani 1 1 d D . .
H224 H 0.1003 0.3184 0.9137 0.032 Uiso 1 1 calc R . .
C225 C 0.1745(6) 0.3383(4) 0.8716(3) 0.0264(11) Uani 1 1 d D . .
H225 H 0.1503 0.3675 0.8586 0.032 Uiso 1 1 calc R . .
C226 C 0.2357(6) 0.3212(4) 0.8602(3) 0.0264(11) Uani 1 1 d D . .
N227 N 0.2644(5) 0.3503(3) 0.8289(3) 0.0318(12) Uani 1 1 d . . .
H227 H 0.307 0.3617 0.8299 0.038 Uiso 1 1 calc R . .
C228 C 0.2284(6) 0.3606(4) 0.7980(3) 0.0326(16) Uani 1 1 d . . .
O229 O 0.1723(4) 0.3362(3) 0.7922(2) 0.0463(12) Uani 1 1 d . . .
C230 C 0.2567(6) 0.4028(4) 0.7695(3) 0.0260(11) Uani 1 1 d D . .
C231 C 0.2103(6) 0.4434(4) 0.7560(3) 0.0260(11) Uani 1 1 d D . .
H231 H 0.1641 0.443 0.7636 0.031 Uiso 1 1 calc R . .
C232 C 0.2349(5) 0.4846(4) 0.7307(3) 0.0260(11) Uani 1 1 d D . .
H232 H 0.2045 0.5128 0.7212 0.031 Uiso 1 1 calc R . .
C233 C 0.3043(6) 0.4860(4) 0.7187(3) 0.0260(11) Uani 1 1 d D . .
H233 H 0.3208 0.5146 0.702 0.031 Uiso 1 1 calc R . .
C234 C 0.3482(6) 0.4404(4) 0.7338(3) 0.0260(11) Uani 1 1 d D . .
C235 C 0.3232(6) 0.4019(4) 0.7598(3) 0.0260(11) Uani 1 1 d D . .
H235 H 0.3528 0.3745 0.7711 0.031 Uiso 1 1 calc R . .
C236 C 0.4199(6) 0.4390(4) 0.7189(3) 0.0314(12) Uani 1 1 d . . .
H23A H 0.4177 0.4296 0.6917 0.038 Uiso 1 1 calc R . .
H23B H 0.4389 0.4783 0.7211 0.038 Uiso 1 1 calc R . .
N237 N 0.4648(4) 0.4014(3) 0.7354(2) 0.0201(15) Uani 1 1 d . . .
C241 C 0.4200(5) 0.1085(4) 0.7404(3) 0.0273(12) Uani 1 1 d D . .
C242 C 0.3879(5) 0.0587(4) 0.7509(3) 0.0273(12) Uani 1 1 d D . .
H242 H 0.3816 0.0495 0.7768 0.033 Uiso 1 1 calc R . .
C243 C 0.3641(5) 0.0210(4) 0.7220(3) 0.0273(12) Uani 1 1 d D . .
H243 H 0.341 -0.0135 0.7286 0.033 Uiso 1 1 calc R . .
C244 C 0.3745(5) 0.0347(4) 0.6836(3) 0.0273(12) Uani 1 1 d D . .
H244 H 0.3613 0.0081 0.6646 0.033 Uiso 1 1 calc R . .
C245 C 0.4025(5) 0.0842(4) 0.6742(3) 0.0273(12) Uani 1 1 d D . .
H245 H 0.4062 0.095 0.6485 0.033 Uiso 1 1 calc R . .
C246 C 0.4273(5) 0.1216(4) 0.7032(3) 0.0273(12) Uani 1 1 d D . .
N247 N 0.4501(4) 0.1807(3) 0.6925(3) 0.0318(12) Uani 1 1 d . . .
H247 H 0.4517 0.2065 0.7107 0.038 Uiso 1 1 calc R . .
C248 C 0.4691(6) 0.1992(4) 0.6572(3) 0.0326(16) Uani 1 1 d . . .
O249 O 0.4769(4) 0.1645(3) 0.6302(2) 0.0463(12) Uani 1 1 d . . .
C250 C 0.4802(5) 0.2601(4) 0.6532(3) 0.0308(12) Uani 1 1 d D . .
C251 C 0.4716(5) 0.2852(4) 0.6181(3) 0.0308(12) Uani 1 1 d D . .
H251 H 0.459 0.2619 0.5973 0.037 Uiso 1 1 calc R . .
C252 C 0.4813(5) 0.3445(4) 0.6129(3) 0.0308(12) Uani 1 1 d D . .
H252 H 0.4752 0.3611 0.5886 0.037 Uiso 1 1 calc R . .
C253 C 0.4991(5) 0.3780(4) 0.6421(3) 0.0308(12) Uani 1 1 d D . .
H253 H 0.5046 0.4182 0.6381 0.037 Uiso 1 1 calc R . .
C254 C 0.5100(6) 0.3559(4) 0.6785(3) 0.0308(12) Uani 1 1 d D . .
C255 C 0.5002(5) 0.2966(4) 0.6828(3) 0.0308(12) Uani 1 1 d D . .
H255 H 0.5074 0.2802 0.707 0.037 Uiso 1 1 calc R . .
C256 C 0.5236(6) 0.3938(4) 0.7111(3) 0.0314(12) Uani 1 1 d . . .
H25A H 0.5612 0.3771 0.7261 0.038 Uiso 1 1 calc R . .
H25B H 0.5385 0.4319 0.7018 0.038 Uiso 1 1 calc R . .
C261 C 0.4870(6) 0.4269(4) 0.7726(3) 0.0314(12) Uani 1 1 d . . .
H26A H 0.51 0.4643 0.7681 0.038 Uiso 1 1 calc R . .
H26B H 0.4468 0.4341 0.7886 0.038 Uiso 1 1 calc R . .
C262 C 0.5343(5) 0.3866(4) 0.7921(3) 0.0246(12) Uani 1 1 d D . .
C263 C 0.6013(5) 0.3963(4) 0.7978(3) 0.0246(12) Uani 1 1 d D . .
H263 H 0.6203 0.4314 0.789 0.03 Uiso 1 1 calc R . .
C264 C 0.6425(5) 0.3581(4) 0.8156(3) 0.0246(12) Uani 1 1 d D . .
H264 H 0.6892 0.3667 0.8191 0.03 Uiso 1 1 calc R . .
C265 C 0.6165(5) 0.3072(4) 0.8284(3) 0.0246(12) Uani 1 1 d D . .
H265 H 0.6456 0.2796 0.8398 0.03 Uiso 1 1 calc R . .
N266 N 0.5489(5) 0.2961(3) 0.8249(2) 0.0206(12) Uani 1 1 d D . .
C267 C 0.5110(6) 0.3324(3) 0.8086(3) 0.0246(12) Uani 1 1 d D . .
H267 H 0.4639 0.3238 0.807 0.03 Uiso 1 1 calc R . .
C271 C 0.5850(6) 0.2792(4) 0.9772(3) 0.0431(14) Uani 1 1 d D . .
C272 C 0.6313(6) 0.3217(4) 0.9804(3) 0.0431(14) Uani 1 1 d D . .
H272 H 0.6495 0.3388 0.9583 0.052 Uiso 1 1 calc R . .
C273 C 0.6530(6) 0.3411(4) 1.0156(3) 0.0431(14) Uani 1 1 d D . .
H273 H 0.6857 0.3712 1.0165 0.052 Uiso 1 1 calc R . .
C274 C 0.6302(6) 0.3195(4) 1.0478(3) 0.0431(14) Uani 1 1 d D . .
H274 H 0.6467 0.3328 1.0714 0.052 Uiso 1 1 calc R . .
C275 C 0.5802(6) 0.2756(4) 1.0456(3) 0.0431(14) Uani 1 1 d D . .
H275 H 0.5616 0.26 1.0681 0.052 Uiso 1 1 calc R . .
C276 C 0.5586(7) 0.2554(4) 1.0112(4) 0.0431(14) Uani 1 1 d D . .
N277 N 0.5073(5) 0.2102(3) 1.0086(3) 0.0318(12) Uani 1 1 d . . .
H277 H 0.4643 0.2191 1.012 0.038 Uiso 1 1 calc R . .
C278 C 0.5251(6) 0.1528(4) 1.0008(3) 0.0326(16) Uani 1 1 d . . .
O279 O 0.5837(4) 0.1377(3) 1.0013(2) 0.0463(12) Uani 1 1 d . . .
C280 C 0.4681(7) 0.1153(5) 0.9923(4) 0.0616(18) Uani 1 1 d D . .
C281 C 0.4598(7) 0.0649(5) 1.0109(3) 0.0616(18) Uani 1 1 d D . .
H281 H 0.4903 0.0549 1.0305 0.074 Uiso 1 1 calc R . .
C282 C 0.4050(7) 0.0261(5) 1.0011(3) 0.0616(18) Uani 1 1 d D . .
H282 H 0.3977 -0.0088 1.0145 0.074 Uiso 1 1 calc R . .
C283 C 0.3632(7) 0.0428(5) 0.9708(4) 0.0616(18) Uani 1 1 d D . .
H283 H 0.3282 0.0173 0.9629 0.074 Uiso 1 1 calc R . .
C284 C 0.3712(8) 0.0948(5) 0.9522(4) 0.0616(18) Uani 1 1 d D . .
C285 C 0.4202(7) 0.1298(5) 0.9633(4) 0.0616(18) Uani 1 1 d D . .
H285 H 0.4241 0.1664 0.9515 0.074 Uiso 1 1 calc R . .
C286 C 0.3179(6) 0.1084(4) 0.9228(3) 0.0314(12) Uani 1 1 d . . .
H28A H 0.2734 0.1115 0.9355 0.038 Uiso 1 1 calc R . .
H28B H 0.3283 0.1467 0.9118 0.038 Uiso 1 1 calc R . .
N287 N 0.3117(4) 0.0683(3) 0.8929(2) 0.0201(15) Uani 1 1 d . . .
C291 C 0.7154(5) 0.0918(4) 0.8432(3) 0.0364(13) Uani 1 1 d D . .
C292 C 0.7801(6) 0.1056(4) 0.8330(3) 0.0364(13) Uani 1 1 d D . .
H292 H 0.7891 0.1445 0.8264 0.044 Uiso 1 1 calc R . .
C293 C 0.8326(6) 0.0678(4) 0.8316(3) 0.0364(13) Uani 1 1 d D . .
H293 H 0.877 0.0793 0.8243 0.044 Uiso 1 1 calc R . .
C294 C 0.8177(6) 0.0107(4) 0.8416(4) 0.0364(13) Uani 1 1 d D . .
H294 H 0.8533 -0.0169 0.8407 0.044 Uiso 1 1 calc R . .
C295 C 0.7561(5) -0.0073(4) 0.8523(4) 0.0364(13) Uani 1 1 d D . .
H295 H 0.7488 -0.0465 0.8587 0.044 Uiso 1 1 calc R . .
C296 C 0.7016(5) 0.0330(4) 0.8541(4) 0.0364(13) Uani 1 1 d D . .
N297 N 0.6367(5) 0.0190(3) 0.8640(3) 0.0318(12) Uani 1 1 d . . .
H297 H 0.6142 0.0474 0.8748 0.038 Uiso 1 1 calc R . .
C298 C 0.6004(6) -0.0300(4) 0.8606(3) 0.0326(16) Uani 1 1 d . . .
O299 O 0.6296(4) -0.0761(3) 0.8487(2) 0.0463(12) Uani 1 1 d . . .
C300 C 0.5289(6) -0.0311(4) 0.8696(3) 0.0240(11) Uani 1 1 d D . .
C301 C 0.5043(5) -0.0835(4) 0.8843(3) 0.0240(11) Uani 1 1 d D . .
H301 H 0.5327 -0.1164 0.8865 0.029 Uiso 1 1 calc R . .
C302 C 0.4340(5) -0.0848(4) 0.8957(3) 0.0240(11) Uani 1 1 d D . .
H302 H 0.4151 -0.1194 0.9055 0.029 Uiso 1 1 calc R . .
C303 C 0.3945(6) -0.0364(4) 0.8924(3) 0.0240(11) Uani 1 1 d D . .
H303 H 0.3487 -0.0386 0.9007 0.029 Uiso 1 1 calc R . .
C304 C 0.4174(6) 0.0156(4) 0.8779(3) 0.0240(11) Uani 1 1 d D . .
C305 C 0.4855(6) 0.0153(4) 0.8689(3) 0.0240(11) Uani 1 1 d D . .
H305 H 0.5045 0.0511 0.8613 0.029 Uiso 1 1 calc R . .
C306 C 0.3727(6) 0.0668(4) 0.8701(3) 0.0314(12) Uani 1 1 d . . .
H30A H 0.399 0.1025 0.8747 0.038 Uiso 1 1 calc R . .
H30B H 0.3596 0.0664 0.8432 0.038 Uiso 1 1 calc R . .
C311 C 0.2516(6) 0.0783(4) 0.8725(3) 0.0314(12) Uani 1 1 d . . .
H31A H 0.2586 0.1122 0.856 0.038 Uiso 1 1 calc R . .
H31B H 0.215 0.0881 0.8905 0.038 Uiso 1 1 calc R . .
C312 C 0.2266(5) 0.0249(4) 0.8468(4) 0.0347(14) Uani 1 1 d D . .
C313 C 0.2291(5) 0.0242(4) 0.8085(3) 0.0347(14) Uani 1 1 d D . .
H313 H 0.2431 0.0571 0.7945 0.042 Uiso 1 1 calc R . .
C314 C 0.2094(5) -0.0290(4) 0.7900(4) 0.0347(14) Uani 1 1 d D . .
H314 H 0.2114 -0.0323 0.7634 0.042 Uiso 1 1 calc R . .
C315 C 0.1882(6) -0.0731(4) 0.8111(4) 0.0347(14) Uani 1 1 d D . .
H315 H 0.1747 -0.1078 0.799 0.042 Uiso 1 1 calc R . .
N316 N 0.1855(5) -0.0701(4) 0.8492(3) 0.0432(15) Uani 1 1 d D . .
C317 C 0.2074(6) -0.0254(4) 0.8666(4) 0.0347(14) Uani 1 1 d D . .
H317 H 0.2107 -0.0261 0.8933 0.042 Uiso 1 1 calc R . .
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 0 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N2 Zn1 N1 88.8(3) . . ?
N2 Zn1 N4 159.7(3) . . ?
N1 Zn1 N4 87.8(3) . . ?
N2 Zn1 N3 86.9(3) . . ?
N1 Zn1 N3 159.9(3) . . ?
N4 Zn1 N3 89.5(3) . . ?
N2 Zn1 N66 97.9(3) . . ?
N1 Zn1 N66 103.3(3) . . ?
N4 Zn1 N66 102.4(3) . . ?
N3 Zn1 N66 96.7(3) . . ?
C18 N1 C1 103.8(8) . . ?
C18 N1 Zn1 127.9(7) . . ?
C1 N1 Zn1 128.3(6) . . ?
C6 N2 C3 105.4(8) . . ?
C6 N2 Zn1 126.3(7) . . ?
C3 N2 Zn1 126.9(7) . . ?
C8 N3 C11 104.4(8) . . ?
C8 N3 Zn1 128.5(7) . . ?
C11 N3 Zn1 126.8(7) . . ?
C16 N4 C13 108.0(8) . . ?
C16 N4 Zn1 127.4(7) . . ?
C13 N4 Zn1 124.4(7) . . ?
N1 C1 C2 123.8(9) . . ?
N1 C1 C20 112.6(9) . . ?
C2 C1 C20 123.0(10) . . ?
C3 C2 C1 124.9(10) . . ?
C3 C2 C21 115.8(10) . . ?
C1 C2 C21 118.5(10) . . ?
N2 C3 C2 125.7(9) . . ?
N2 C3 C4 109.9(9) . . ?
C2 C3 C4 124.4(10) . . ?
C5 C4 C3 106.6(10) . . ?
C5 C4 H4 126.7 . . ?
C3 C4 H4 126.7 . . ?
C4 C5 C6 109.5(9) . . ?
C4 C5 H5 125.3 . . ?
C6 C5 H5 125.3 . . ?
N2 C6 C7 126.6(9) . . ?
N2 C6 C5 108.6(9) . . ?
C7 C6 C5 124.7(9) . . ?
C6 C7 C8 122.2(9) . . ?
C6 C7 C71 118.5(9) . . ?
C8 C7 C71 119.1(10) . . ?
N3 C8 C9 113.5(9) . . ?
N3 C8 C7 125.2(10) . . ?
C9 C8 C7 121.2(10) . . ?
C10 C9 C8 106.6(10) . . ?
C10 C9 H9 126.7 . . ?
C8 C9 H9 126.7 . . ?
C9 C10 C11 107.4(10) . . ?
C9 C10 H10 126.3 . . ?
C11 C10 H10 126.3 . . ?
N3 C11 C12 123.2(9) . . ?
N3 C11 C10 108.2(9) . . ?
C12 C11 C10 128.5(9) . . ?
C13 C12 C11 126.1(10) . . ?
C13 C12 C91 119.0(9) . . ?
C11 C12 C91 114.4(9) . . ?
C12 C13 N4 129.1(9) . . ?
C12 C13 C14 123.0(10) . . ?
N4 C13 C14 107.9(9) . . ?
C15 C14 C13 106.5(9) . . ?
C15 C14 H14 126.7 . . ?
C13 C14 H14 126.7 . . ?
C14 C15 C16 107.4(9) . . ?
C14 C15 H15 126.3 . . ?
C16 C15 H15 126.3 . . ?
N4 C16 C17 125.0(10) . . ?
N4 C16 C15 109.9(10) . . ?
C17 C16 C15 124.6(10) . . ?
C18 C17 C16 125.8(10) . . ?
C18 C17 C41 116.5(10) . . ?
C16 C17 C41 117.4(9) . . ?
C17 C18 N1 124.2(10) . . ?
C17 C18 C19 124.7(10) . . ?
N1 C18 C19 110.7(9) . . ?
C20 C19 C18 109.9(10) . . ?
C20 C19 H19 125.1 . . ?
C18 C19 H19 125.1 . . ?
C19 C20 C1 102.9(10) . . ?
C19 C20 H20 128.6 . . ?
C1 C20 H20 128.6 . . ?
C22 C21 C26 116.0(10) . . ?
C22 C21 C2 122.6(10) . . ?
C26 C21 C2 121.4(10) . . ?
C23 C22 C21 123.5(11) . . ?
C23 C22 H22 118.2 . . ?
C21 C22 H22 118.2 . . ?
C22 C23 C24 120.4(11) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C25 C24 C23 118.5(11) . . ?
C25 C24 H24 120.7 . . ?
C23 C24 H24 120.7 . . ?
C24 C25 C26 123.9(11) . . ?
C24 C25 H25 118.1 . . ?
C26 C25 H25 118.1 . . ?
C21 C26 C25 117.7(10) . . ?
C21 C26 N27 121.6(10) . . ?
C25 C26 N27 120.7(9) . . ?
C28 N27 C26 123.7(10) . . ?
C28 N27 H27 118.1 . . ?
C26 N27 H27 118.1 . . ?
O29 C28 N27 121.4(10) . . ?
O29 C28 C30 122.0(10) . . ?
N27 C28 C30 116.6(10) . . ?
C35 C30 C31 119.0(10) . . ?
C35 C30 C28 124.2(9) . . ?
C31 C30 C28 116.8(10) . . ?
C32 C31 C30 118.8(10) . . ?
C32 C31 H31 120.6 . . ?
C30 C31 H31 120.6 . . ?
C33 C32 C31 119.0(10) . . ?
C33 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C32 C33 C34 124.7(10) . . ?
C32 C33 H33 117.6 . . ?
C34 C33 H33 117.6 . . ?
C35 C34 C33 115.9(10) . . ?
C35 C34 C36 124.1(9) . . ?
C33 C34 C36 119.2(9) . . ?
C30 C35 C34 122.6(10) . . ?
C30 C35 H35 118.7 . . ?
C34 C35 H35 118.7 . . ?
C34 C36 N37 113.9(8) . . ?
C34 C36 H36A 108.8 . . ?
N37 C36 H36A 108.8 . . ?
C34 C36 H36B 108.8 . . ?
N37 C36 H36B 108.8 . . ?
H36A C36 H36B 107.7 . . ?
C61 N37 C36 111.4(7) . . ?
C61 N37 C56 110.8(8) . . ?
C36 N37 C56 108.0(8) . . ?
C42 C41 C46 116.8(9) . . ?
C42 C41 C17 116.9(9) . . ?
C46 C41 C17 126.2(9) . . ?
C43 C42 C41 123.0(10) . . ?
C43 C42 H42 118.5 . . ?
C41 C42 H42 118.5 . . ?
C44 C43 C42 120.1(10) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C43 C44 C45 121.1(9) . . ?
C43 C44 H44 119.4 . . ?
C45 C44 H44 119.4 . . ?
C46 C45 C44 118.1(9) . . ?
C46 C45 H45 120.9 . . ?
C44 C45 H45 120.9 . . ?
N47 C46 C45 122.8(9) . . ?
N47 C46 C41 116.4(9) . . ?
C45 C46 C41 120.6(9) . . ?
C48 N47 C46 127.2(9) . . ?
C48 N47 H47 116.4 . . ?
C46 N47 H47 116.4 . . ?
O49 C48 N47 124.1(9) . . ?
O49 C48 C50 119.2(9) . . ?
N47 C48 C50 116.7(9) . . ?
C55 C50 C51 120.6(8) . . ?
C55 C50 C48 123.7(9) . . ?
C51 C50 C48 115.6(8) . . ?
C52 C51 C50 119.1(9) . . ?
C52 C51 H51 120.5 . . ?
C50 C51 H51 120.4 . . ?
C53 C52 C51 119.2(10) . . ?
C53 C52 H52 120.4 . . ?
C51 C52 H52 120.4 . . ?
C52 C53 C54 120.9(8) . . ?
C52 C53 H53 119.6 . . ?
C54 C53 H53 119.6 . . ?
C53 C54 C55 119.1(9) . . ?
C53 C54 C56 121.0(8) . . ?
C55 C54 C56 119.4(9) . . ?
C50 C55 C54 121.0(10) . . ?
C50 C55 H55 119.5 . . ?
C54 C55 H55 119.5 . . ?
C54 C56 N37 109.6(9) . . ?
C54 C56 H56A 109.8 . . ?
N37 C56 H56A 109.8 . . ?
C54 C56 H56B 109.8 . . ?
N37 C56 H56B 109.8 . . ?
H56A C56 H56B 108.2 . . ?
N37 C61 C62 110.8(8) . . ?
N37 C61 H61A 109.5 . . ?
C62 C61 H61A 109.5 . . ?
N37 C61 H61B 109.5 . . ?
C62 C61 H61B 109.5 . . ?
H61A C61 H61B 108.1 . . ?
C63 C62 C67 120.2(9) . . ?
C63 C62 C61 121.4(9) . . ?
C67 C62 C61 118.2(9) . . ?
C62 C63 C64 118.4(9) . . ?
C62 C63 H63 120.8 . . ?
C64 C63 H63 120.8 . . ?
C65 C64 C63 115.8(10) . . ?
C65 C64 H64 122.1 . . ?
C63 C64 H64 122.1 . . ?
N66 C65 C64 127.5(10) . . ?
N66 C65 H65 116.2 . . ?
C64 C65 H65 116.2 . . ?
C65 N66 C67 117.9(8) . . ?
C65 N66 Zn1 121.1(7) . . ?
C67 N66 Zn1 121.0(7) . . ?
N66 C67 C62 120.0(10) . . ?
N66 C67 H67 120 . . ?
C62 C67 H67 120 . . ?
C76 C71 C72 119.5(10) . . ?
C76 C71 C7 121.6(10) . . ?
C72 C71 C7 118.6(10) . . ?
C71 C72 C73 120.4(10) . . ?
C71 C72 H72 119.8 . . ?
C73 C72 H72 119.8 . . ?
C74 C73 C72 116.9(9) . . ?
C74 C73 H73 121.6 . . ?
C72 C73 H73 121.6 . . ?
C75 C74 C73 121.7(10) . . ?
C75 C74 H74 119.1 . . ?
C73 C74 H74 119.1 . . ?
C74 C75 C76 122.0(11) . . ?
C74 C75 H75 119 . . ?
C76 C75 H75 119 . . ?
C71 C76 N77 119.9(10) . . ?
C71 C76 C75 119.4(10) . . ?
N77 C76 C75 120.6(10) . . ?
C78 N77 C76 120.1(9) . . ?
C78 N77 H77 119.9 . . ?
C76 N77 H77 119.9 . . ?
O79 C78 N77 121.6(9) . . ?
O79 C78 C80 117.5(8) . . ?
N77 C78 C80 120.9(10) . . ?
C85 C80 C81 120.8(11) . . ?
C85 C80 C78 120.1(9) . . ?
C81 C80 C78 118.9(11) . . ?
C80 C81 C82 116.7(11) . . ?
C80 C81 H81 121.7 . . ?
C82 C81 H81 121.7 . . ?
C83 C82 C81 121.3(10) . . ?
C83 C82 H82 119.4 . . ?
C81 C82 H82 119.4 . . ?
C82 C83 C84 121.0(11) . . ?
C82 C83 H83 119.5 . . ?
C84 C83 H83 119.5 . . ?
C85 C84 C83 120.4(12) . . ?
C85 C84 C86 117.6(9) . . ?
C83 C84 C86 121.8(10) . . ?
C84 C85 C80 119.7(10) . . ?
C84 C85 H85 120.2 . . ?
C80 C85 H85 120.2 . . ?
N87 C86 C84 113.2(7) . . ?
N87 C86 H86A 108.9 . . ?
C84 C86 H86A 108.9 . . ?
N87 C86 H86B 108.9 . . ?
C84 C86 H86B 108.9 . . ?
H86A C86 H86B 107.7 . . ?
C106 N87 C111 109.8(8) . . ?
C106 N87 C86 108.2(8) . . ?
C111 N87 C86 107.9(7) . . ?
C96 C91 C92 117.1(10) . . ?
C96 C91 C12 119.9(10) . . ?
C92 C91 C12 122.8(9) . . ?
C91 C92 C93 120.7(10) . . ?
C91 C92 H92 119.6 . . ?
C93 C92 H92 119.6 . . ?
C94 C93 C92 119.0(11) . . ?
C94 C93 H93 120.5 . . ?
C92 C93 H93 120.5 . . ?
C93 C94 C95 119.5(11) . . ?
C93 C94 H94 120.2 . . ?
C95 C94 H94 120.2 . . ?
C96 C95 C94 121.5(11) . . ?
C96 C95 H95 119.2 . . ?
C94 C95 H95 119.2 . . ?
C95 C96 C91 121.9(11) . . ?
C95 C96 N97 122.3(10) . . ?
C91 C96 N97 115.3(9) . . ?
C98 N97 C96 125.8(9) . . ?
C98 N97 H97 117.1 . . ?
C96 N97 H97 117.1 . . ?
O99 C98 N97 123.7(10) . . ?
O99 C98 C100 120.9(9) . . ?
N97 C98 C100 115.2(9) . . ?
C101 C100 C105 117.8(10) . . ?
C101 C100 C98 121.5(9) . . ?
C105 C100 C98 119.3(9) . . ?
C102 C101 C100 121.3(9) . . ?
C102 C101 H101 119.4 . . ?
C100 C101 H101 119.4 . . ?
C101 C102 C103 124.1(10) . . ?
C101 C102 H102 117.9 . . ?
C103 C102 H102 117.9 . . ?
C102 C103 C104 116.1(10) . . ?
C102 C103 H103 122 . . ?
C104 C103 H103 122 . . ?
C105 C104 C103 120.8(9) . . ?
C105 C104 C106 120.9(9) . . ?
C103 C104 C106 118.2(10) . . ?
C104 C105 C100 119.1(9) . . ?
C104 C105 H105 120.5 . . ?
C100 C105 H105 120.5 . . ?
N87 C106 C104 111.8(8) . . ?
N87 C106 H10A 109.3 . . ?
C104 C106 H10A 109.3 . . ?
N87 C106 H10B 109.3 . . ?
C104 C106 H10B 109.3 . . ?
H10A C106 H10B 107.9 . . ?
C112 C111 N87 110.9(8) . . ?
C112 C111 H11A 109.5 . . ?
N87 C111 H11A 109.5 . . ?
C112 C111 H11B 109.5 . . ?
N87 C111 H11B 109.5 . . ?
H11A C111 H11B 108.1 . . ?
C113 C112 C117 115.0(11) . . ?
C113 C112 C111 124.3(11) . . ?
C117 C112 C111 120.6(11) . . ?
C112 C113 C114 121.0(11) . . ?
C112 C113 H113 119.5 . . ?
C114 C113 H113 119.5 . . ?
C115 C114 C113 116.0(12) . . ?
C115 C114 H114 122 . . ?
C113 C114 H114 122 . . ?
C114 C115 N116 126.7(12) . . ?
C114 C115 H115 116.6 . . ?
N116 C115 H115 116.6 . . ?
C117 N116 C115 117.3(11) . . ?
N116 C117 C112 124.0(12) . . ?
N116 C117 H117 118 . . ?
C112 C117 H117 118 . . ?
N204 Zn2 N201 87.6(3) . . ?
N204 Zn2 N202 160.6(3) . . ?
N201 Zn2 N202 89.3(3) . . ?
N204 Zn2 N203 88.2(3) . . ?
N201 Zn2 N203 161.2(3) . . ?
N202 Zn2 N203 88.7(3) . . ?
N204 Zn2 N266 101.5(3) . . ?
N201 Zn2 N266 97.0(3) . . ?
N202 Zn2 N266 97.9(3) . . ?
N203 Zn2 N266 101.8(3) . . ?
C201 N201 C218 106.4(9) . . ?
C201 N201 Zn2 128.3(8) . . ?
C218 N201 Zn2 125.1(7) . . ?
C216 N202 C213 105.7(9) . . ?
C216 N202 Zn2 126.9(7) . . ?
C213 N202 Zn2 127.4(7) . . ?
C208 N203 C211 107.3(9) . . ?
C208 N203 Zn2 127.0(7) . . ?
C211 N203 Zn2 125.2(7) . . ?
C206 N204 C203 102.8(9) . . ?
C206 N204 Zn2 129.4(7) . . ?
C203 N204 Zn2 127.7(7) . . ?
C202 C201 N201 124.7(11) . . ?
C202 C201 C220 126.1(10) . . ?
N201 C201 C220 109.1(10) . . ?
C201 C202 C203 127.1(11) . . ?
C201 C202 C221 117.2(10) . . ?
C203 C202 C221 115.1(10) . . ?
N204 C203 C202 123.7(10) . . ?
N204 C203 C204 109.2(9) . . ?
C202 C203 C204 127.1(10) . . ?
C205 C204 C203 109.1(10) . . ?
C205 C204 H204 125.4 . . ?
C203 C204 H204 125.4 . . ?
C204 C205 C206 103.8(10) . . ?
C204 C205 H205 128.1 . . ?
C206 C205 H205 128.1 . . ?
N204 C206 C205 114.7(10) . . ?
N204 C206 C207 123.0(10) . . ?
C205 C206 C207 122.2(10) . . ?
C208 C207 C206 125.4(10) . . ?
C208 C207 C241 115.3(9) . . ?
C206 C207 C241 118.6(10) . . ?
N203 C208 C207 124.9(10) . . ?
N203 C208 C209 109.4(10) . . ?
C207 C208 C209 124.9(11) . . ?
C210 C209 C208 107.6(10) . . ?
C210 C209 H209 126.2 . . ?
C208 C209 H209 126.2 . . ?
C209 C210 C211 109.3(10) . . ?
C209 C210 H210 125.4 . . ?
C211 C210 H210 125.4 . . ?
N203 C211 C212 125.7(10) . . ?
N203 C211 C210 106.5(9) . . ?
C212 C211 C210 127.6(10) . . ?
C213 C212 C211 126.0(10) . . ?
C213 C212 C291 116.2(10) . . ?
C211 C212 C291 117.5(10) . . ?
N202 C213 C212 125.6(10) . . ?
N202 C213 C214 110.8(9) . . ?
C212 C213 C214 123.6(10) . . ?
C215 C214 C213 107.8(10) . . ?
C215 C214 H214 126.1 . . ?
C213 C214 H214 126.1 . . ?
C214 C215 C216 105.1(10) . . ?
C214 C215 H215 127.5 . . ?
C216 C215 H215 127.5 . . ?
N202 C216 C217 124.4(10) . . ?
N202 C216 C215 110.6(9) . . ?
C217 C216 C215 124.8(10) . . ?
C218 C217 C216 125.9(11) . . ?
C218 C217 C271 119.6(10) . . ?
C216 C217 C271 114.5(10) . . ?
C217 C218 C219 122.1(10) . . ?
C217 C218 N201 126.2(10) . . ?
C219 C218 N201 111.6(10) . . ?
C218 C219 C220 104.7(10) . . ?
C218 C219 H219 127.6 . . ?
C220 C219 H219 127.6 . . ?
C219 C220 C201 107.9(10) . . ?
C219 C220 H220 126 . . ?
C201 C220 H220 126 . . ?
C222 C221 C226 116.5(10) . . ?
C222 C221 C202 120.1(10) . . ?
C226 C221 C202 123.4(9) . . ?
C221 C222 C223 125.5(10) . . ?
C221 C222 H222 117.2 . . ?
C223 C222 H222 117.2 . . ?
C224 C223 C222 117.0(10) . . ?
C224 C223 H223 121.5 . . ?
C222 C223 H223 121.5 . . ?
C223 C224 C225 121.4(10) . . ?
C223 C224 H224 119.3 . . ?
C225 C224 H224 119.3 . . ?
C226 C225 C224 117.4(10) . . ?
C226 C225 H225 121.3 . . ?
C224 C225 H225 121.3 . . ?
C225 C226 N227 117.2(9) . . ?
C225 C226 C221 122.0(10) . . ?
N227 C226 C221 120.2(10) . . ?
C228 N227 C226 121.3(10) . . ?
C228 N227 H227 119.4 . . ?
C226 N227 H227 119.4 . . ?
O229 C228 N227 121.6(11) . . ?
O229 C228 C230 120.3(11) . . ?
N227 C228 C230 118.1(10) . . ?
C235 C230 C231 123.8(10) . . ?
C235 C230 C228 121.0(10) . . ?
C231 C230 C228 115.1(10) . . ?
C232 C231 C230 117.0(11) . . ?
C232 C231 H231 121.5 . . ?
C230 C231 H231 121.5 . . ?
C231 C232 C233 122.5(10) . . ?
C231 C232 H232 118.7 . . ?
C233 C232 H232 118.7 . . ?
C232 C233 C234 116.0(10) . . ?
C232 C233 H233 122 . . ?
C234 C233 H233 122 . . ?
C235 C234 C233 120.2(10) . . ?
C235 C234 C236 123.7(9) . . ?
C233 C234 C236 116.1(9) . . ?
C230 C235 C234 120.3(10) . . ?
C230 C235 H235 119.8 . . ?
C234 C235 H235 119.8 . . ?
N237 C236 C234 117.8(9) . . ?
N237 C236 H23A 107.8 . . ?
C234 C236 H23A 107.8 . . ?
N237 C236 H23B 107.8 . . ?
C234 C236 H23B 107.8 . . ?
H23A C236 H23B 107.2 . . ?
C236 N237 C256 109.6(8) . . ?
C236 N237 C261 108.2(8) . . ?
C256 N237 C261 109.6(9) . . ?
C246 C241 C242 120.2(10) . . ?
C246 C241 C207 122.5(9) . . ?
C242 C241 C207 117.3(10) . . ?
C241 C242 C243 118.0(10) . . ?
C241 C242 H242 121 . . ?
C243 C242 H242 121 . . ?
C244 C243 C242 120.6(9) . . ?
C244 C243 H243 119.7 . . ?
C242 C243 H243 119.7 . . ?
C245 C244 C243 120.0(10) . . ?
C245 C244 H244 120 . . ?
C243 C244 H244 120 . . ?
C244 C245 C246 119.2(11) . . ?
C244 C245 H245 120.4 . . ?
C246 C245 H245 120.4 . . ?
C241 C246 C245 121.7(9) . . ?
C241 C246 N247 118.9(9) . . ?
C245 C246 N247 118.4(10) . . ?
C248 N247 C246 126.8(9) . . ?
C248 N247 H247 116.6 . . ?
C246 N247 H247 116.6 . . ?
O249 C248 N247 121.9(9) . . ?
O249 C248 C250 122.2(10) . . ?
N247 C248 C250 115.8(9) . . ?
C251 C250 C255 116.9(9) . . ?
C251 C250 C248 118.9(9) . . ?
C255 C250 C248 124.3(10) . . ?
C250 C251 C252 121.1(10) . . ?
C250 C251 H251 119.5 . . ?
C252 C251 H251 119.5 . . ?
C253 C252 C251 120.0(10) . . ?
C253 C252 H252 120 . . ?
C251 C252 H252 120 . . ?
C252 C253 C254 122.6(9) . . ?
C252 C253 H253 118.7 . . ?
C254 C253 H253 118.7 . . ?
C255 C254 C253 116.0(9) . . ?
C255 C254 C256 121.6(9) . . ?
C253 C254 C256 122.0(9) . . ?
C254 C255 C250 123.4(10) . . ?
C254 C255 H255 118.3 . . ?
C250 C255 H255 118.3 . . ?
N237 C256 C254 113.2(9) . . ?
N237 C256 H25A 108.9 . . ?
C254 C256 H25A 108.9 . . ?
N237 C256 H25B 108.9 . . ?
C254 C256 H25B 108.9 . . ?
H25A C256 H25B 107.8 . . ?
C262 C261 N237 110.0(8) . . ?
C262 C261 H26A 109.7 . . ?
N237 C261 H26A 109.7 . . ?
C262 C261 H26B 109.7 . . ?
N237 C261 H26B 109.7 . . ?
H26A C261 H26B 108.2 . . ?
C263 C262 C267 112.9(9) . . ?
C263 C262 C261 125.1(9) . . ?
C267 C262 C261 122.0(10) . . ?
C262 C263 C264 123.0(10) . . ?
C262 C263 H263 118.5 . . ?
C264 C263 H263 118.5 . . ?
C263 C264 C265 119.6(10) . . ?
C263 C264 H264 120.2 . . ?
C265 C264 H264 120.2 . . ?
N266 C265 C264 120.1(10) . . ?
N266 C265 H265 120 . . ?
C264 C265 H265 120 . . ?
C267 N266 C265 119.5(9) . . ?
C267 N266 Zn2 122.9(7) . . ?
C265 N266 Zn2 117.6(6) . . ?
N266 C267 C262 124.8(10) . . ?
N266 C267 H267 117.6 . . ?
C262 C267 H267 117.6 . . ?
C272 C271 C276 117.3(11) . . ?
C272 C271 C217 122.6(11) . . ?
C276 C271 C217 120.0(10) . . ?
C271 C272 C273 121.2(11) . . ?
C271 C272 H272 119.4 . . ?
C273 C272 H272 119.4 . . ?
C274 C273 C272 123.1(11) . . ?
C274 C273 H273 118.5 . . ?
C272 C273 H273 118.5 . . ?
C273 C274 C275 117.4(11) . . ?
C273 C274 H274 121.3 . . ?
C275 C274 H274 121.3 . . ?
C276 C275 C274 120.5(11) . . ?
C276 C275 H275 119.7 . . ?
C274 C275 H275 119.7 . . ?
C275 C276 C271 120.5(10) . . ?
C275 C276 N277 121.0(10) . . ?
C271 C276 N277 118.5(10) . . ?
C278 N277 C276 121.3(10) . . ?
C278 N277 H277 119.3 . . ?
C276 N277 H277 119.3 . . ?
O279 C278 N277 120.8(10) . . ?
O279 C278 C280 124.6(10) . . ?
N277 C278 C280 114.6(11) . . ?
C281 C280 C285 118.3(12) . . ?
C281 C280 C278 120.6(13) . . ?
C285 C280 C278 121.1(11) . . ?
C280 C281 C282 120.7(13) . . ?
C280 C281 H281 119.6 . . ?
C282 C281 H281 119.6 . . ?
C283 C282 C281 116.6(12) . . ?
C283 C282 H282 121.7 . . ?
C281 C282 H282 121.7 . . ?
C284 C283 C282 122.6(12) . . ?
C284 C283 H283 118.7 . . ?
C282 C283 H283 118.7 . . ?
C285 C284 C283 118.3(13) . . ?
C285 C284 C286 125.8(12) . . ?
C283 C284 C286 115.7(11) . . ?
C284 C285 C280 123.4(13) . . ?
C284 C285 H285 118.3 . . ?
C280 C285 H285 118.3 . . ?
N287 C286 C284 116.1(9) . . ?
N287 C286 H28A 108.3 . . ?
C284 C286 H28A 108.3 . . ?
N287 C286 H28B 108.3 . . ?
C284 C286 H28B 108.3 . . ?
H28A C286 H28B 107.4 . . ?
C311 N287 C286 110.5(8) . . ?
C311 N287 C306 114.5(9) . . ?
C286 N287 C306 111.2(9) . . ?
C292 C291 C296 118.0(9) . . ?
C292 C291 C212 125.7(9) . . ?
C296 C291 C212 116.3(9) . . ?
C293 C292 C291 124.8(10) . . ?
C293 C292 H292 117.6 . . ?
C291 C292 H292 117.6 . . ?
C292 C293 C294 116.2(11) . . ?
C292 C293 H293 121.9 . . ?
C294 C293 H293 121.9 . . ?
C295 C294 C293 123.8(10) . . ?
C295 C294 H294 118.1 . . ?
C293 C294 H294 118.1 . . ?
C294 C295 C296 119.5(10) . . ?
C294 C295 H295 120.3 . . ?
C296 C295 H295 120.3 . . ?
N297 C296 C295 124.1(10) . . ?
N297 C296 C291 118.1(9) . . ?
C295 C296 C291 117.8(10) . . ?
C298 N297 C296 132.4(10) . . ?
C298 N297 H297 113.8 . . ?
C296 N297 H297 113.8 . . ?
O299 C298 N297 119.5(10) . . ?
O299 C298 C300 119.6(9) . . ?
N297 C298 C300 120.8(9) . . ?
C305 C300 C301 118.0(10) . . ?
C305 C300 C298 126.0(9) . . ?
C301 C300 C298 115.6(9) . . ?
C300 C301 C302 116.9(9) . . ?
C300 C301 H301 121.6 . . ?
C302 C301 H301 121.6 . . ?
C303 C302 C301 120.3(9) . . ?
C303 C302 H302 119.9 . . ?
C301 C302 H302 119.9 . . ?
C302 C303 C304 123.9(10) . . ?
C302 C303 H303 118.1 . . ?
C304 C303 H303 118.1 . . ?
C305 C304 C303 113.5(9) . . ?
C305 C304 C306 122.2(9) . . ?
C303 C304 C306 124.2(10) . . ?
C300 C305 C304 127.3(9) . . ?
C300 C305 H305 116.4 . . ?
C304 C305 H305 116.4 . . ?
N287 C306 C304 113.8(9) . . ?
N287 C306 H30A 108.8 . . ?
C304 C306 H30A 108.8 . . ?
N287 C306 H30B 108.8 . . ?
C304 C306 H30B 108.8 . . ?
H30A C306 H30B 107.7 . . ?
N287 C311 C312 114.9(8) . . ?
N287 C311 H31A 108.5 . . ?
C312 C311 H31A 108.5 . . ?
N287 C311 H31B 108.6 . . ?
C312 C311 H31B 108.6 . . ?
H31A C311 H31B 107.5 . . ?
C313 C312 C317 119.8(11) . . ?
C313 C312 C311 124.2(10) . . ?
C317 C312 C311 115.7(11) . . ?
C312 C313 C314 116.9(11) . . ?
C312 C313 H313 121.5 . . ?
C314 C313 H313 121.5 . . ?
C315 C314 C313 118.8(12) . . ?
C315 C314 H314 120.6 . . ?
C313 C314 H314 120.6 . . ?
C314 C315 N316 122.2(11) . . ?
C314 C315 H315 118.9 . . ?
N316 C315 H315 118.9 . . ?
C317 N316 C315 120.7(11) . . ?
N316 C317 C312 121.1(12) . . ?
N316 C317 H317 119.4 . . ?
C312 C317 H317 119.4 . . ?
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
Zn1 N2 2.047(8) . ?
Zn1 N1 2.060(9) . ?
Zn1 N4 2.069(8) . ?
Zn1 N3 2.069(8) . ?
Zn1 N66 2.105(8) . ?
N1 C18 1.396(12) . ?
N1 C1 1.404(12) . ?
N2 C6 1.374(12) . ?
N2 C3 1.405(13) . ?
N3 C8 1.330(12) . ?
N3 C11 1.414(12) . ?
N4 C16 1.357(12) . ?
N4 C13 1.392(12) . ?
C1 C2 1.427(13) . ?
C1 C20 1.460(14) . ?
C2 C3 1.417(14) . ?
C2 C21 1.486(14) . ?
C3 C4 1.468(13) . ?
C4 C5 1.297(13) . ?
C4 H4 0.95 . ?
C5 C6 1.479(13) . ?
C5 H5 0.95 . ?
C6 C7 1.405(14) . ?
C7 C8 1.448(14) . ?
C7 C71 1.472(14) . ?
C8 C9 1.404(14) . ?
C9 C10 1.337(13) . ?
C9 H9 0.95 . ?
C10 C11 1.444(14) . ?
C10 H10 0.95 . ?
C11 C12 1.432(13) . ?
C12 C13 1.332(13) . ?
C12 C91 1.518(13) . ?
C13 C14 1.491(13) . ?
C14 C15 1.364(14) . ?
C14 H14 0.95 . ?
C15 C16 1.459(14) . ?
C15 H15 0.95 . ?
C16 C17 1.413(14) . ?
C17 C18 1.394(14) . ?
C17 C41 1.479(14) . ?
C18 C19 1.414(14) . ?
C19 C20 1.396(13) . ?
C19 H19 0.95 . ?
C20 H20 0.95 . ?
C21 C22 1.347(14) . ?
C21 C26 1.428(14) . ?
C22 C23 1.334(14) . ?
C22 H22 0.95 . ?
C23 C24 1.413(14) . ?
C23 H23 0.95 . ?
C24 C25 1.243(13) . ?
C24 H24 0.95 . ?
C25 C26 1.430(14) . ?
C25 H25 0.95 . ?
C26 N27 1.452(12) . ?
N27 C28 1.342(13) . ?
N27 H27 0.88 . ?
C28 O29 1.236(12) . ?
C28 C30 1.490(14) . ?
C30 C35 1.360(14) . ?
C30 C31 1.433(13) . ?
C31 C32 1.407(13) . ?
C31 H31 0.95 . ?
C32 C33 1.324(14) . ?
C32 H32 0.95 . ?
C33 C34 1.404(13) . ?
C33 H33 0.95 . ?
C34 C35 1.392(14) . ?
C34 C36 1.458(14) . ?
C35 H35 0.95 . ?
C36 N37 1.508(12) . ?
C36 H36A 0.99 . ?
C36 H36B 0.99 . ?
N37 C61 1.462(12) . ?
N37 C56 1.518(13) . ?
C41 C42 1.441(13) . ?
C41 C46 1.451(14) . ?
C42 C43 1.398(13) . ?
C42 H42 0.95 . ?
C43 C44 1.365(13) . ?
C43 H43 0.95 . ?
C44 C45 1.478(13) . ?
C44 H44 0.95 . ?
C45 C46 1.430(13) . ?
C45 H45 0.95 . ?
C46 N47 1.389(12) . ?
N47 C48 1.314(12) . ?
N47 H47 0.88 . ?
C48 O49 1.234(11) . ?
C48 C50 1.509(12) . ?
C50 C55 1.349(13) . ?
C50 C51 1.432(14) . ?
C51 C52 1.399(12) . ?
C51 H51 0.95 . ?
C52 C53 1.400(14) . ?
C52 H52 0.95 . ?
C53 C54 1.400(15) . ?
C53 H53 0.95 . ?
C54 C55 1.401(12) . ?
C54 C56 1.507(13) . ?
C55 H55 0.95 . ?
C56 H56A 0.99 . ?
C56 H56B 0.99 . ?
C61 C62 1.516(14) . ?
C61 H61A 0.99 . ?
C61 H61B 0.99 . ?
C62 C63 1.407(14) . ?
C62 C67 1.418(13) . ?
C63 C64 1.457(13) . ?
C63 H63 0.95 . ?
C64 C65 1.359(13) . ?
C64 H64 0.95 . ?
C65 N66 1.335(12) . ?
C65 H65 0.95 . ?
N66 C67 1.383(12) . ?
C67 H67 0.95 . ?
C71 C76 1.359(14) . ?
C71 C72 1.393(14) . ?
C72 C73 1.451(14) . ?
C72 H72 0.95 . ?
C73 C74 1.391(14) . ?
C73 H73 0.95 . ?
C74 C75 1.313(13) . ?
C74 H74 0.95 . ?
C75 C76 1.421(14) . ?
C75 H75 0.95 . ?
C76 N77 1.418(13) . ?
N77 C78 1.291(11) . ?
N77 H77 0.88 . ?
C78 O79 1.281(12) . ?
C78 C80 1.513(15) . ?
C80 C85 1.403(16) . ?
C80 C81 1.407(13) . ?
C81 C82 1.427(15) . ?
C81 H81 0.95 . ?
C82 C83 1.347(15) . ?
C82 H82 0.95 . ?
C83 C84 1.378(13) . ?
C83 H83 0.95 . ?
C84 C85 1.369(15) . ?
C84 C86 1.576(15) . ?
C85 H85 0.95 . ?
C86 N87 1.529(12) . ?
C86 H86A 0.99 . ?
C86 H86B 0.99 . ?
N87 C106 1.470(13) . ?
N87 C111 1.502(12) . ?
C91 C96 1.387(13) . ?
C91 C92 1.393(14) . ?
C92 C93 1.402(14) . ?
C92 H92 0.95 . ?
C93 C94 1.339(13) . ?
C93 H93 0.95 . ?
C94 C95 1.404(15) . ?
C94 H94 0.95 . ?
C95 C96 1.297(14) . ?
C95 H95 0.95 . ?
C96 N97 1.475(13) . ?
N97 C98 1.348(12) . ?
N97 H97 0.88 . ?
C98 O99 1.216(11) . ?
C98 C100 1.501(15) . ?
C100 C101 1.381(13) . ?
C100 C105 1.422(13) . ?
C101 C102 1.323(14) . ?
C101 H101 0.95 . ?
C102 C103 1.384(13) . ?
C102 H102 0.95 . ?
C103 C104 1.411(13) . ?
C103 H103 0.95 . ?
C104 C105 1.403(15) . ?
C104 C106 1.553(13) . ?
C105 H105 0.95 . ?
C106 H10A 0.99 . ?
C106 H10B 0.99 . ?
C111 C112 1.443(14) . ?
C111 H11A 0.99 . ?
C111 H11B 0.99 . ?
C112 C113 1.415(16) . ?
C112 C117 1.433(15) . ?
C113 C114 1.444(15) . ?
C113 H113 0.95 . ?
C114 C115 1.321(14) . ?
C114 H114 0.95 . ?
C115 N116 1.366(14) . ?
C115 H115 0.95 . ?
N116 C117 1.324(13) . ?
C117 H117 0.95 . ?
Zn2 N204 2.036(9) . ?
Zn2 N201 2.067(8) . ?
Zn2 N202 2.068(9) . ?
Zn2 N203 2.094(8) . ?
Zn2 N266 2.149(8) . ?
N201 C201 1.349(13) . ?
N201 C218 1.393(13) . ?
N202 C216 1.367(13) . ?
N202 C213 1.383(12) . ?
N203 C208 1.344(13) . ?
N203 C211 1.392(13) . ?
N204 C206 1.365(12) . ?
N204 C203 1.386(13) . ?
C201 C202 1.343(14) . ?
C201 C220 1.426(14) . ?
C202 C203 1.411(14) . ?
C202 C221 1.545(14) . ?
C203 C204 1.447(14) . ?
C204 C205 1.334(14) . ?
C204 H204 0.95 . ?
C205 C206 1.419(14) . ?
C205 H205 0.95 . ?
C206 C207 1.469(14) . ?
C207 C208 1.402(14) . ?
C207 C241 1.510(14) . ?
C208 C209 1.449(14) . ?
C209 C210 1.283(14) . ?
C209 H209 0.95 . ?
C210 C211 1.460(14) . ?
C210 H210 0.95 . ?
C211 C212 1.408(14) . ?
C212 C213 1.384(14) . ?
C212 C291 1.506(14) . ?
C213 C214 1.467(14) . ?
C214 C215 1.349(13) . ?
C214 H214 0.95 . ?
C215 C216 1.515(14) . ?
C215 H215 0.95 . ?
C216 C217 1.436(14) . ?
C217 C218 1.377(14) . ?
C217 C271 1.511(15) . ?
C218 C219 1.389(14) . ?
C219 C220 1.403(14) . ?
C219 H219 0.95 . ?
C220 H220 0.95 . ?
C221 C222 1.366(14) . ?
C221 C226 1.442(14) . ?
C222 C223 1.393(14) . ?
C222 H222 0.95 . ?
C223 C224 1.342(13) . ?
C223 H223 0.95 . ?
C224 C225 1.509(14) . ?
C224 H224 0.95 . ?
C225 C226 1.332(14) . ?
C225 H225 0.95 . ?
C226 N227 1.420(12) . ?
N227 C228 1.327(13) . ?
N227 H227 0.88 . ?
C228 O229 1.258(13) . ?
C228 C230 1.514(15) . ?
C230 C235 1.355(14) . ?
C230 C231 1.398(14) . ?
C231 C232 1.398(13) . ?
C231 H231 0.95 . ?
C232 C233 1.432(14) . ?
C232 H232 0.95 . ?
C233 C234 1.467(14) . ?
C233 H233 0.95 . ?
C234 C235 1.377(14) . ?
C234 C236 1.509(15) . ?
C235 H235 0.95 . ?
C236 N237 1.374(12) . ?
C236 H23A 0.99 . ?
C236 H23B 0.99 . ?
N237 C256 1.456(13) . ?
N237 C261 1.509(13) . ?
C241 C246 1.362(15) . ?
C241 C242 1.370(13) . ?
C242 C243 1.429(14) . ?
C242 H242 0.95 . ?
C243 C244 1.414(14) . ?
C243 H243 0.95 . ?
C244 C245 1.317(13) . ?
C244 H244 0.95 . ?
C245 C246 1.433(14) . ?
C245 H245 0.95 . ?
C246 N247 1.493(12) . ?
N247 C248 1.377(13) . ?
N247 H247 0.88 . ?
C248 O249 1.261(12) . ?
C248 C250 1.436(13) . ?
C250 C251 1.388(14) . ?
C250 C255 1.406(14) . ?
C251 C252 1.401(13) . ?
C251 H251 0.95 . ?
C252 C253 1.345(14) . ?
C252 H252 0.95 . ?
C253 C254 1.406(15) . ?
C253 H253 0.95 . ?
C254 C255 1.396(13) . ?
C254 C256 1.479(14) . ?
C255 H255 0.95 . ?
C256 H25A 0.99 . ?
C256 H25B 0.99 . ?
C261 C262 1.492(14) . ?
C261 H26A 0.99 . ?
C261 H26B 0.99 . ?
C262 C263 1.354(14) . ?
C262 C267 1.461(12) . ?
C263 C264 1.357(13) . ?
C263 H263 0.95 . ?
C264 C265 1.364(12) . ?
C264 H264 0.95 . ?
C265 N266 1.363(12) . ?
C265 H265 0.95 . ?
N266 C267 1.266(11) . ?
C267 H267 0.95 . ?
C271 C272 1.350(15) . ?
C271 C276 1.426(16) . ?
C272 C273 1.395(15) . ?
C272 H272 0.95 . ?
C273 C274 1.329(15) . ?
C273 H273 0.95 . ?
C274 C275 1.418(14) . ?
C274 H274 0.95 . ?
C275 C276 1.378(15) . ?
C275 H275 0.95 . ?
C276 N277 1.459(13) . ?
N277 C278 1.404(12) . ?
N277 H277 0.88 . ?
C278 O279 1.207(13) . ?
C278 C280 1.453(16) . ?
C280 C281 1.351(16) . ?
C280 C285 1.436(18) . ?
C281 C282 1.448(16) . ?
C281 H281 0.95 . ?
C282 C283 1.409(17) . ?
C282 H282 0.95 . ?
C283 C284 1.386(16) . ?
C283 H283 0.95 . ?
C284 C285 1.322(16) . ?
C284 C286 1.514(17) . ?
C285 H285 0.95 . ?
C286 N287 1.416(12) . ?
C286 H28A 0.99 . ?
C286 H28B 0.99 . ?
N287 C311 1.408(13) . ?
N287 C306 1.448(13) . ?
C291 C292 1.363(14) . ?
C291 C296 1.443(14) . ?
C292 C293 1.358(13) . ?
C292 H292 0.95 . ?
C293 C294 1.402(13) . ?
C293 H293 0.95 . ?
C294 C295 1.338(15) . ?
C294 H294 0.95 . ?
C295 C296 1.425(14) . ?
C295 H295 0.95 . ?
C296 N297 1.366(13) . ?
N297 C298 1.348(12) . ?
N297 H297 0.88 . ?
C298 O299 1.286(11) . ?
C298 C300 1.445(15) . ?
C300 C305 1.374(13) . ?
C300 C301 1.407(12) . ?
C301 C302 1.444(14) . ?
C301 H301 0.95 . ?
C302 C303 1.372(13) . ?
C302 H302 0.95 . ?
C303 C304 1.389(12) . ?
C303 H303 0.95 . ?
C304 C305 1.379(14) . ?
C304 C306 1.504(14) . ?
C305 H305 0.95 . ?
C306 H30A 0.99 . ?
C306 H30B 0.99 . ?
C311 C312 1.615(15) . ?
C311 H31A 0.99 . ?
C311 H31B 0.99 . ?
C312 C313 1.361(16) . ?
C312 C317 1.415(14) . ?
C313 C314 1.450(14) . ?
C313 H313 0.95 . ?
C314 C315 1.335(14) . ?
C314 H314 0.95 . ?
C315 N316 1.357(14) . ?
C315 H315 0.95 . ?
N316 C317 1.281(13) . ?
C317 H317 0.95 . ?
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
N2 Zn1 N1 C18 170.3(7) . . . . ?
N4 Zn1 N1 C18 10.4(7) . . . . ?
N3 Zn1 N1 C18 92.7(12) . . . . ?
N66 Zn1 N1 C18 -91.8(7) . . . . ?
N2 Zn1 N1 C1 -11.1(7) . . . . ?
N4 Zn1 N1 C1 -171.1(7) . . . . ?
N3 Zn1 N1 C1 -88.8(11) . . . . ?
N66 Zn1 N1 C1 86.7(8) . . . . ?
N1 Zn1 N2 C6 178.0(7) . . . . ?
N4 Zn1 N2 C6 -101.6(11) . . . . ?
N3 Zn1 N2 C6 -21.6(7) . . . . ?
N66 Zn1 N2 C6 74.8(7) . . . . ?
N1 Zn1 N2 C3 13.2(7) . . . . ?
N4 Zn1 N2 C3 93.6(11) . . . . ?
N3 Zn1 N2 C3 173.6(7) . . . . ?
N66 Zn1 N2 C3 -90.0(7) . . . . ?
N2 Zn1 N3 C8 18.1(8) . . . . ?
N1 Zn1 N3 C8 96.1(11) . . . . ?
N4 Zn1 N3 C8 178.1(8) . . . . ?
N66 Zn1 N3 C8 -79.5(8) . . . . ?
N2 Zn1 N3 C11 -169.5(8) . . . . ?
N1 Zn1 N3 C11 -91.5(12) . . . . ?
N4 Zn1 N3 C11 -9.5(8) . . . . ?
N66 Zn1 N3 C11 92.9(8) . . . . ?
N2 Zn1 N4 C16 -95.8(12) . . . . ?
N1 Zn1 N4 C16 -15.2(8) . . . . ?
N3 Zn1 N4 C16 -175.3(8) . . . . ?
N66 Zn1 N4 C16 87.9(8) . . . . ?
N2 Zn1 N4 C13 89.2(12) . . . . ?
N1 Zn1 N4 C13 169.7(7) . . . . ?
N3 Zn1 N4 C13 9.6(7) . . . . ?
N66 Zn1 N4 C13 -87.2(7) . . . . ?
C18 N1 C1 C2 -174.6(8) . . . . ?
Zn1 N1 C1 C2 6.6(13) . . . . ?
C18 N1 C1 C20 -2.6(10) . . . . ?
Zn1 N1 C1 C20 178.6(6) . . . . ?
N1 C1 C2 C3 0.6(14) . . . . ?
C20 C1 C2 C3 -170.5(9) . . . . ?
N1 C1 C2 C21 170.0(9) . . . . ?
C20 C1 C2 C21 -1.1(13) . . . . ?
C6 N2 C3 C2 -178.8(9) . . . . ?
Zn1 N2 C3 C2 -11.5(13) . . . . ?
C6 N2 C3 C4 -1.2(10) . . . . ?
Zn1 N2 C3 C4 166.2(6) . . . . ?
C1 C2 C3 N2 2.0(15) . . . . ?
C21 C2 C3 N2 -167.7(9) . . . . ?
C1 C2 C3 C4 -175.4(8) . . . . ?
C21 C2 C3 C4 15.0(13) . . . . ?
N2 C3 C4 C5 0.4(11) . . . . ?
C2 C3 C4 C5 178.1(9) . . . . ?
C3 C4 C5 C6 0.6(10) . . . . ?
C3 N2 C6 C7 -174.8(9) . . . . ?
Zn1 N2 C6 C7 17.8(13) . . . . ?
C3 N2 C6 C5 1.5(9) . . . . ?
Zn1 N2 C6 C5 -165.9(6) . . . . ?
C4 C5 C6 N2 -1.3(11) . . . . ?
C4 C5 C6 C7 175.0(9) . . . . ?
N2 C6 C7 C8 -0.5(15) . . . . ?
C5 C6 C7 C8 -176.2(9) . . . . ?
N2 C6 C7 C71 174.1(9) . . . . ?
C5 C6 C7 C71 -1.6(14) . . . . ?
C11 N3 C8 C9 1.0(11) . . . . ?
Zn1 N3 C8 C9 174.7(6) . . . . ?
C11 N3 C8 C7 177.0(9) . . . . ?
Zn1 N3 C8 C7 -9.3(14) . . . . ?
C6 C7 C8 N3 -4.0(15) . . . . ?
C71 C7 C8 N3 -178.7(9) . . . . ?
C6 C7 C8 C9 171.7(9) . . . . ?
C71 C7 C8 C9 -3.0(14) . . . . ?
N3 C8 C9 C10 -0.1(12) . . . . ?
C7 C8 C9 C10 -176.3(9) . . . . ?
C8 C9 C10 C11 -0.8(11) . . . . ?
C8 N3 C11 C12 -179.2(9) . . . . ?
Zn1 N3 C11 C12 6.9(13) . . . . ?
C8 N3 C11 C10 -1.4(10) . . . . ?
Zn1 N3 C11 C10 -175.3(6) . . . . ?
C9 C10 C11 N3 1.4(11) . . . . ?
C9 C10 C11 C12 179.0(9) . . . . ?
N3 C11 C12 C13 -0.8(16) . . . . ?
C10 C11 C12 C13 -178.1(10) . . . . ?
N3 C11 C12 C91 171.1(9) . . . . ?
C10 C11 C12 C91 -6.2(15) . . . . ?
C11 C12 C13 N4 1.5(17) . . . . ?
C91 C12 C13 N4 -170.1(9) . . . . ?
C11 C12 C13 C14 -179.4(9) . . . . ?
C91 C12 C13 C14 9.1(15) . . . . ?
C16 N4 C13 C12 176.3(10) . . . . ?
Zn1 N4 C13 C12 -7.9(14) . . . . ?
C16 N4 C13 C14 -3.0(10) . . . . ?
Zn1 N4 C13 C14 172.9(6) . . . . ?
C12 C13 C14 C15 -178.2(9) . . . . ?
N4 C13 C14 C15 1.1(10) . . . . ?
C13 C14 C15 C16 1.0(10) . . . . ?
C13 N4 C16 C17 -168.9(9) . . . . ?
Zn1 N4 C16 C17 15.4(13) . . . . ?
C13 N4 C16 C15 3.7(10) . . . . ?
Zn1 N4 C16 C15 -172.0(6) . . . . ?
C14 C15 C16 N4 -3.0(11) . . . . ?
C14 C15 C16 C17 169.6(9) . . . . ?
N4 C16 C17 C18 -5.0(16) . . . . ?
C15 C16 C17 C18 -176.5(9) . . . . ?
N4 C16 C17 C41 168.1(9) . . . . ?
C15 C16 C17 C41 -3.4(14) . . . . ?
C16 C17 C18 N1 -0.4(15) . . . . ?
C41 C17 C18 N1 -173.5(8) . . . . ?
C16 C17 C18 C19 172.8(9) . . . . ?
C41 C17 C18 C19 -0.3(14) . . . . ?
C1 N1 C18 C17 175.9(9) . . . . ?
Zn1 N1 C18 C17 -5.3(13) . . . . ?
C1 N1 C18 C19 1.9(9) . . . . ?
Zn1 N1 C18 C19 -179.3(6) . . . . ?
C17 C18 C19 C20 -174.5(9) . . . . ?
N1 C18 C19 C20 -0.6(11) . . . . ?
C18 C19 C20 C1 -1.0(10) . . . . ?
N1 C1 C20 C19 2.3(10) . . . . ?
C2 C1 C20 C19 174.3(8) . . . . ?
C3 C2 C21 C22 59.2(12) . . . . ?
C1 C2 C21 C22 -111.2(10) . . . . ?
C3 C2 C21 C26 -122.6(10) . . . . ?
C1 C2 C21 C26 67.0(12) . . . . ?
C26 C21 C22 C23 -0.5(12) . . . . ?
C2 C21 C22 C23 177.8(10) . . . . ?
C21 C22 C23 C24 -0.7(12) . . . . ?
C22 C23 C24 C25 1.7(14) . . . . ?
C23 C24 C25 C26 -1.4(16) . . . . ?
C22 C21 C26 C25 0.8(13) . . . . ?
C2 C21 C26 C25 -177.5(9) . . . . ?
C22 C21 C26 N27 -177.9(8) . . . . ?
C2 C21 C26 N27 3.7(14) . . . . ?
C24 C25 C26 C21 0.2(16) . . . . ?
C24 C25 C26 N27 179.0(10) . . . . ?
C21 C26 N27 C28 -143.3(10) . . . . ?
C25 C26 N27 C28 38.0(13) . . . . ?
C26 N27 C28 O29 12.8(15) . . . . ?
C26 N27 C28 C30 -166.5(8) . . . . ?
O29 C28 C30 C35 134.4(11) . . . . ?
N27 C28 C30 C35 -46.3(14) . . . . ?
O29 C28 C30 C31 -46.3(13) . . . . ?
N27 C28 C30 C31 133.0(9) . . . . ?
C35 C30 C31 C32 2.0(11) . . . . ?
C28 C30 C31 C32 -177.3(9) . . . . ?
C30 C31 C32 C33 -0.7(11) . . . . ?
C31 C32 C33 C34 -1.0(15) . . . . ?
C32 C33 C34 C35 1.4(16) . . . . ?
C32 C33 C34 C36 -168.6(10) . . . . ?
C31 C30 C35 C34 -1.7(14) . . . . ?
C28 C30 C35 C34 177.6(9) . . . . ?
C33 C34 C35 C30 0.0(15) . . . . ?
C36 C34 C35 C30 169.5(10) . . . . ?
C35 C34 C36 N37 24.2(14) . . . . ?
C33 C34 C36 N37 -166.7(9) . . . . ?
C34 C36 N37 C61 68.6(11) . . . . ?
C34 C36 N37 C56 -169.5(8) . . . . ?
C18 C17 C41 C42 83.7(10) . . . . ?
C16 C17 C41 C42 -90.0(11) . . . . ?
C18 C17 C41 C46 -100.8(12) . . . . ?
C16 C17 C41 C46 85.5(12) . . . . ?
C46 C41 C42 C43 -1.1(11) . . . . ?
C17 C41 C42 C43 174.8(9) . . . . ?
C41 C42 C43 C44 -1.9(12) . . . . ?
C42 C43 C44 C45 1.0(14) . . . . ?
C43 C44 C45 C46 2.9(14) . . . . ?
C44 C45 C46 N47 179.8(9) . . . . ?
C44 C45 C46 C41 -6.0(14) . . . . ?
C42 C41 C46 N47 179.7(8) . . . . ?
C17 C41 C46 N47 4.3(15) . . . . ?
C42 C41 C46 C45 5.1(13) . . . . ?
C17 C41 C46 C45 -170.3(10) . . . . ?
C45 C46 N47 C48 5.4(17) . . . . ?
C41 C46 N47 C48 -169.1(10) . . . . ?
C46 N47 C48 O49 16.4(18) . . . . ?
C46 N47 C48 C50 -164.4(9) . . . . ?
O49 C48 C50 C55 161.4(11) . . . . ?
N47 C48 C50 C55 -17.8(16) . . . . ?
O49 C48 C50 C51 -20.4(14) . . . . ?
N47 C48 C50 C51 160.3(9) . . . . ?
C55 C50 C51 C52 2.1(12) . . . . ?
C48 C50 C51 C52 -176.2(9) . . . . ?
C50 C51 C52 C53 -2.0(12) . . . . ?
C51 C52 C53 C54 1.8(15) . . . . ?
C52 C53 C54 C55 -1.6(17) . . . . ?
C52 C53 C54 C56 -173.3(10) . . . . ?
C51 C50 C55 C54 -1.9(16) . . . . ?
C48 C50 C55 C54 176.2(10) . . . . ?
C53 C54 C55 C50 1.7(18) . . . . ?
C56 C54 C55 C50 173.5(10) . . . . ?
C53 C54 C56 N37 -111.8(11) . . . . ?
C55 C54 C56 N37 76.5(12) . . . . ?
C61 N37 C56 C54 -167.7(7) . . . . ?
C36 N37 C56 C54 70.0(9) . . . . ?
C36 N37 C61 C62 -178.6(8) . . . . ?
C56 N37 C61 C62 61.2(10) . . . . ?
N37 C61 C62 C63 -108.9(10) . . . . ?
N37 C61 C62 C67 66.4(12) . . . . ?
C67 C62 C63 C64 0.6(11) . . . . ?
C61 C62 C63 C64 175.8(9) . . . . ?
C62 C63 C64 C65 0.9(11) . . . . ?
C63 C64 C65 N66 0.5(15) . . . . ?
C64 C65 N66 C67 -3.3(16) . . . . ?
C64 C65 N66 Zn1 175.3(8) . . . . ?
N2 Zn1 N66 C65 -104.8(8) . . . . ?
N1 Zn1 N66 C65 164.5(8) . . . . ?
N4 Zn1 N66 C65 73.9(8) . . . . ?
N3 Zn1 N66 C65 -17.0(8) . . . . ?
N2 Zn1 N66 C67 73.7(8) . . . . ?
N1 Zn1 N66 C67 -17.0(8) . . . . ?
N4 Zn1 N66 C67 -107.6(7) . . . . ?
N3 Zn1 N66 C67 161.4(7) . . . . ?
C65 N66 C67 C62 4.6(14) . . . . ?
Zn1 N66 C67 C62 -173.9(7) . . . . ?
C63 C62 C67 N66 -3.4(14) . . . . ?
C61 C62 C67 N66 -178.8(9) . . . . ?
C6 C7 C71 C76 -64.5(12) . . . . ?
C8 C7 C71 C76 110.3(12) . . . . ?
C6 C7 C71 C72 109.8(11) . . . . ?
C8 C7 C71 C72 -75.3(11) . . . . ?
C76 C71 C72 C73 3.8(12) . . . . ?
C7 C71 C72 C73 -170.7(9) . . . . ?
C71 C72 C73 C74 -0.7(11) . . . . ?
C72 C73 C74 C75 -0.7(14) . . . . ?
C73 C74 C75 C76 -0.9(16) . . . . ?
C72 C71 C76 N77 178.8(9) . . . . ?
C7 C71 C76 N77 -6.8(15) . . . . ?
C72 C71 C76 C75 -5.3(14) . . . . ?
C7 C71 C76 C75 169.0(9) . . . . ?
C74 C75 C76 C71 4.0(16) . . . . ?
C74 C75 C76 N77 179.8(10) . . . . ?
C71 C76 N77 C78 -70.1(13) . . . . ?
C75 C76 N77 C78 114.1(11) . . . . ?
C76 N77 C78 O79 -16.3(15) . . . . ?
C76 N77 C78 C80 163.1(10) . . . . ?
O79 C78 C80 C85 139.1(11) . . . . ?
N77 C78 C80 C85 -40.3(15) . . . . ?
O79 C78 C80 C81 -35.7(13) . . . . ?
N77 C78 C80 C81 144.9(10) . . . . ?
C85 C80 C81 C82 1.4(12) . . . . ?
C78 C80 C81 C82 176.1(9) . . . . ?
C80 C81 C82 C83 -4.4(12) . . . . ?
C81 C82 C83 C84 5.2(15) . . . . ?
C82 C83 C84 C85 -2.8(17) . . . . ?
C82 C83 C84 C86 -177.8(10) . . . . ?
C83 C84 C85 C80 -0.3(17) . . . . ?
C86 C84 C85 C80 175.0(10) . . . . ?
C81 C80 C85 C84 0.9(16) . . . . ?
C78 C80 C85 C84 -173.8(10) . . . . ?
C85 C84 C86 N87 -142.5(10) . . . . ?
C83 C84 C86 N87 32.7(15) . . . . ?
C84 C86 N87 C106 74.6(10) . . . . ?
C84 C86 N87 C111 -166.6(9) . . . . ?
C13 C12 C91 C96 70.8(14) . . . . ?
C11 C12 C91 C96 -101.7(11) . . . . ?
C13 C12 C91 C92 -105.7(11) . . . . ?
C11 C12 C91 C92 81.8(12) . . . . ?
C96 C91 C92 C93 -0.1(12) . . . . ?
C12 C91 C92 C93 176.5(10) . . . . ?
C91 C92 C93 C94 3.7(12) . . . . ?
C92 C93 C94 C95 -4.9(15) . . . . ?
C93 C94 C95 C96 2.5(18) . . . . ?
C94 C95 C96 C91 1.3(18) . . . . ?
C94 C95 C96 N97 172.7(10) . . . . ?
C92 C91 C96 C95 -2.4(16) . . . . ?
C12 C91 C96 C95 -179.1(11) . . . . ?
C92 C91 C96 N97 -174.4(9) . . . . ?
C12 C91 C96 N97 8.9(15) . . . . ?
C95 C96 N97 C98 42.1(17) . . . . ?
C91 C96 N97 C98 -145.9(10) . . . . ?
C96 N97 C98 O99 -13.1(17) . . . . ?
C96 N97 C98 C100 171.1(10) . . . . ?
O99 C98 C100 C101 -24.6(16) . . . . ?
N97 C98 C100 C101 151.2(9) . . . . ?
O99 C98 C100 C105 141.4(11) . . . . ?
N97 C98 C100 C105 -42.7(14) . . . . ?
C105 C100 C101 C102 5.7(12) . . . . ?
C98 C100 C101 C102 172.0(10) . . . . ?
C100 C101 C102 C103 2.7(13) . . . . ?
C101 C102 C103 C104 -7.2(15) . . . . ?
C102 C103 C104 C105 3.3(16) . . . . ?
C102 C103 C104 C106 -172.9(10) . . . . ?
C103 C104 C105 C100 4.7(17) . . . . ?
C106 C104 C105 C100 -179.3(9) . . . . ?
C101 C100 C105 C104 -9.1(14) . . . . ?
C98 C100 C105 C104 -175.7(10) . . . . ?
C111 N87 C106 C104 135.3(8) . . . . ?
C86 N87 C106 C104 -107.1(9) . . . . ?
C105 C104 C106 N87 153.6(10) . . . . ?
C103 C104 C106 N87 -30.3(14) . . . . ?
C106 N87 C111 C112 -73.5(11) . . . . ?
C86 N87 C111 C112 168.8(9) . . . . ?
N87 C111 C112 C113 110.9(11) . . . . ?
N87 C111 C112 C117 -64.8(13) . . . . ?
C117 C112 C113 C114 -2.1(11) . . . . ?
C111 C112 C113 C114 -178.0(10) . . . . ?
C112 C113 C114 C115 0.5(12) . . . . ?
C113 C114 C115 N116 1.6(17) . . . . ?
C114 C115 N116 C117 -1.8(18) . . . . ?
C115 N116 C117 C112 -0.2(17) . . . . ?
C113 C112 C117 N116 2.0(15) . . . . ?
C111 C112 C117 N116 178.1(11) . . . . ?
N204 Zn2 N201 C201 -10.6(8) . . . . ?
N202 Zn2 N201 C201 -171.5(9) . . . . ?
N203 Zn2 N201 C201 -87.7(13) . . . . ?
N266 Zn2 N201 C201 90.6(9) . . . . ?
N204 Zn2 N201 C218 176.5(8) . . . . ?
N202 Zn2 N201 C218 15.7(8) . . . . ?
N203 Zn2 N201 C218 99.5(12) . . . . ?
N266 Zn2 N201 C218 -82.2(8) . . . . ?
N204 Zn2 N202 C216 -93.5(12) . . . . ?
N201 Zn2 N202 C216 -13.0(8) . . . . ?
N203 Zn2 N202 C216 -174.3(8) . . . . ?
N266 Zn2 N202 C216 83.9(8) . . . . ?
N204 Zn2 N202 C213 88.2(13) . . . . ?
N201 Zn2 N202 C213 168.8(8) . . . . ?
N203 Zn2 N202 C213 7.4(8) . . . . ?
N266 Zn2 N202 C213 -94.3(8) . . . . ?
N204 Zn2 N203 C208 16.0(8) . . . . ?
N201 Zn2 N203 C208 92.9(13) . . . . ?
N202 Zn2 N203 C208 176.8(8) . . . . ?
N266 Zn2 N203 C208 -85.4(8) . . . . ?
N204 Zn2 N203 C211 -173.5(8) . . . . ?
N201 Zn2 N203 C211 -96.5(13) . . . . ?
N202 Zn2 N203 C211 -12.6(8) . . . . ?
N266 Zn2 N203 C211 85.2(8) . . . . ?
N201 Zn2 N204 C206 -169.9(8) . . . . ?
N202 Zn2 N204 C206 -89.0(13) . . . . ?
N203 Zn2 N204 C206 -8.2(8) . . . . ?
N266 Zn2 N204 C206 93.5(8) . . . . ?
N201 Zn2 N204 C203 6.1(8) . . . . ?
N202 Zn2 N204 C203 86.9(12) . . . . ?
N203 Zn2 N204 C203 167.8(8) . . . . ?
N266 Zn2 N204 C203 -90.5(8) . . . . ?
C218 N201 C201 C202 -176.6(10) . . . . ?
Zn2 N201 C201 C202 9.5(15) . . . . ?
C218 N201 C201 C220 5.0(11) . . . . ?
Zn2 N201 C201 C220 -168.9(6) . . . . ?
N201 C201 C202 C203 0.3(18) . . . . ?
C220 C201 C202 C203 178.4(9) . . . . ?
N201 C201 C202 C221 170.6(9) . . . . ?
C220 C201 C202 C221 -11.4(16) . . . . ?
C206 N204 C203 C202 176.5(9) . . . . ?
Zn2 N204 C203 C202 -0.3(14) . . . . ?
C206 N204 C203 C204 -3.7(10) . . . . ?
Zn2 N204 C203 C204 179.4(6) . . . . ?
C201 C202 C203 N204 -5.2(17) . . . . ?
C221 C202 C203 N204 -175.6(9) . . . . ?
C201 C202 C203 C204 175.2(10) . . . . ?
C221 C202 C203 C204 4.8(14) . . . . ?
N204 C203 C204 C205 6.2(12) . . . . ?
C202 C203 C204 C205 -174.1(9) . . . . ?
C203 C204 C205 C206 -5.5(11) . . . . ?
C203 N204 C206 C205 0.3(11) . . . . ?
Zn2 N204 C206 C205 177.1(7) . . . . ?
C203 N204 C206 C207 -174.4(9) . . . . ?
Zn2 N204 C206 C207 2.4(14) . . . . ?
C204 C205 C206 N204 3.4(12) . . . . ?
C204 C205 C206 C207 178.1(9) . . . . ?
N204 C206 C207 C208 0.5(16) . . . . ?
C205 C206 C207 C208 -173.8(10) . . . . ?
N204 C206 C207 C241 170.5(9) . . . . ?
C205 C206 C207 C241 -3.8(15) . . . . ?
C211 N203 C208 C207 169.4(10) . . . . ?
Zn2 N203 C208 C207 -18.7(14) . . . . ?
C211 N203 C208 C209 -0.7(11) . . . . ?
Zn2 N203 C208 C209 171.3(6) . . . . ?
C206 C207 C208 N203 8.2(17) . . . . ?
C241 C207 C208 N203 -162.0(9) . . . . ?
C206 C207 C208 C209 176.8(9) . . . . ?
C241 C207 C208 C209 6.6(15) . . . . ?
N203 C208 C209 C210 0.5(12) . . . . ?
C207 C208 C209 C210 -169.6(10) . . . . ?
C208 C209 C210 C211 -0.1(12) . . . . ?
C208 N203 C211 C212 -173.4(10) . . . . ?
Zn2 N203 C211 C212 14.5(14) . . . . ?
C208 N203 C211 C210 0.6(10) . . . . ?
Zn2 N203 C211 C210 -171.5(6) . . . . ?
C209 C210 C211 N203 -0.3(11) . . . . ?
C209 C210 C211 C212 173.5(10) . . . . ?
N203 C211 C212 C213 -6.6(17) . . . . ?
C210 C211 C212 C213 -179.3(10) . . . . ?
N203 C211 C212 C291 166.4(9) . . . . ?
C210 C211 C212 C291 -6.4(16) . . . . ?
C216 N202 C213 C212 178.4(10) . . . . ?
Zn2 N202 C213 C212 -3.0(15) . . . . ?
C216 N202 C213 C214 -0.5(11) . . . . ?
Zn2 N202 C213 C214 178.1(6) . . . . ?
C211 C212 C213 N202 0.2(17) . . . . ?
C291 C212 C213 N202 -172.8(10) . . . . ?
C211 C212 C213 C214 179.0(10) . . . . ?
C291 C212 C213 C214 6.0(15) . . . . ?
N202 C213 C214 C215 2.0(12) . . . . ?
C212 C213 C214 C215 -176.9(9) . . . . ?
C213 C214 C215 C216 -2.5(11) . . . . ?
C213 N202 C216 C217 -175.7(9) . . . . ?
Zn2 N202 C216 C217 5.7(14) . . . . ?
C213 N202 C216 C215 -1.0(11) . . . . ?
Zn2 N202 C216 C215 -179.6(6) . . . . ?
C214 C215 C216 N202 2.3(11) . . . . ?
C214 C215 C216 C217 177.0(10) . . . . ?
N202 C216 C217 C218 4.9(17) . . . . ?
C215 C216 C217 C218 -169.1(10) . . . . ?
N202 C216 C217 C271 -177.7(9) . . . . ?
C215 C216 C217 C271 8.4(14) . . . . ?
C216 C217 C218 C219 177.4(9) . . . . ?
C271 C217 C218 C219 0.1(15) . . . . ?
C216 C217 C218 N201 -1.4(17) . . . . ?
C271 C217 C218 N201 -178.8(9) . . . . ?
C201 N201 C218 C217 173.9(10) . . . . ?
Zn2 N201 C218 C217 -11.9(14) . . . . ?
C201 N201 C218 C219 -5.0(11) . . . . ?
Zn2 N201 C218 C219 169.1(6) . . . . ?
C217 C218 C219 C220 -176.1(9) . . . . ?
N201 C218 C219 C220 2.9(11) . . . . ?
C218 C219 C220 C201 0.3(11) . . . . ?
C202 C201 C220 C219 178.3(10) . . . . ?
N201 C201 C220 C219 -3.4(11) . . . . ?
C201 C202 C221 C222 -56.3(12) . . . . ?
C203 C202 C221 C222 115.1(10) . . . . ?
C201 C202 C221 C226 121.6(11) . . . . ?
C203 C202 C221 C226 -67.1(12) . . . . ?
C226 C221 C222 C223 0.5(11) . . . . ?
C202 C221 C222 C223 178.5(9) . . . . ?
C221 C222 C223 C224 -1.8(12) . . . . ?
C222 C223 C224 C225 -0.9(13) . . . . ?
C223 C224 C225 C226 4.9(14) . . . . ?
C224 C225 C226 N227 -177.2(8) . . . . ?
C224 C225 C226 C221 -6.3(14) . . . . ?
C222 C221 C226 C225 3.9(14) . . . . ?
C202 C221 C226 C225 -174.1(10) . . . . ?
C222 C221 C226 N227 174.5(8) . . . . ?
C202 C221 C226 N227 -3.5(14) . . . . ?
C225 C226 N227 C228 -46.3(13) . . . . ?
C221 C226 N227 C228 142.6(10) . . . . ?
C226 N227 C228 O229 -13.5(16) . . . . ?
C226 N227 C228 C230 166.8(8) . . . . ?
O229 C228 C230 C235 -136.9(11) . . . . ?
N227 C228 C230 C235 42.8(14) . . . . ?
O229 C228 C230 C231 46.2(13) . . . . ?
N227 C228 C230 C231 -134.1(10) . . . . ?
C235 C230 C231 C232 0.7(12) . . . . ?
C228 C230 C231 C232 177.5(8) . . . . ?
C230 C231 C232 C233 0.3(11) . . . . ?
C231 C232 C233 C234 1.4(13) . . . . ?
C232 C233 C234 C235 -4.1(14) . . . . ?
C232 C233 C234 C236 175.4(9) . . . . ?
C231 C230 C235 C234 -3.5(15) . . . . ?
C228 C230 C235 C234 179.9(9) . . . . ?
C233 C234 C235 C230 5.2(15) . . . . ?
C236 C234 C235 C230 -174.3(10) . . . . ?
C235 C234 C236 N237 -7.9(15) . . . . ?
C233 C234 C236 N237 172.6(9) . . . . ?
C234 C236 N237 C256 163.6(9) . . . . ?
C234 C236 N237 C261 -77.0(11) . . . . ?
C208 C207 C241 C246 -83.7(13) . . . . ?
C206 C207 C241 C246 105.4(12) . . . . ?
C208 C207 C241 C242 95.0(11) . . . . ?
C206 C207 C241 C242 -75.9(12) . . . . ?
C246 C241 C242 C243 1.4(12) . . . . ?
C207 C241 C242 C243 -177.3(9) . . . . ?
C241 C242 C243 C244 0.9(11) . . . . ?
C242 C243 C244 C245 -4.4(15) . . . . ?
C243 C244 C245 C246 5.3(15) . . . . ?
C242 C241 C246 C245 -0.4(15) . . . . ?
C207 C241 C246 C245 178.2(10) . . . . ?
C242 C241 C246 N247 168.3(8) . . . . ?
C207 C241 C246 N247 -13.1(15) . . . . ?
C244 C245 C246 C241 -3.0(16) . . . . ?
C244 C245 C246 N247 -171.8(9) . . . . ?
C241 C246 N247 C248 170.5(10) . . . . ?
C245 C246 N247 C248 -20.5(16) . . . . ?
C246 N247 C248 O249 -8.9(18) . . . . ?
C246 N247 C248 C250 172.0(9) . . . . ?
O249 C248 C250 C251 27.2(16) . . . . ?
N247 C248 C250 C251 -153.6(9) . . . . ?
O249 C248 C250 C255 -152.2(11) . . . . ?
N247 C248 C250 C255 26.9(16) . . . . ?
C255 C250 C251 C252 -1.2(12) . . . . ?
C248 C250 C251 C252 179.3(10) . . . . ?
C250 C251 C252 C253 0.0(12) . . . . ?
C251 C252 C253 C254 1.1(15) . . . . ?
C252 C253 C254 C255 -0.9(16) . . . . ?
C252 C253 C254 C256 -174.4(10) . . . . ?
C253 C254 C255 C250 -0.4(17) . . . . ?
C256 C254 C255 C250 173.1(10) . . . . ?
C251 C250 C255 C254 1.4(16) . . . . ?
C248 C250 C255 C254 -179.2(11) . . . . ?
C236 N237 C256 C254 -76.1(10) . . . . ?
C261 N237 C256 C254 165.3(8) . . . . ?
C255 C254 C256 N237 -70.5(14) . . . . ?
C253 C254 C256 N237 102.6(12) . . . . ?
C236 N237 C261 C262 178.2(9) . . . . ?
C256 N237 C261 C262 -62.2(10) . . . . ?
N237 C261 C262 C263 111.5(10) . . . . ?
N237 C261 C262 C267 -71.0(13) . . . . ?
C267 C262 C263 C264 2.8(11) . . . . ?
C261 C262 C263 C264 -179.6(10) . . . . ?
C262 C263 C264 C265 0.2(12) . . . . ?
C263 C264 C265 N266 -3.0(14) . . . . ?
C264 C265 N266 C267 2.3(15) . . . . ?
C264 C265 N266 Zn2 -175.2(7) . . . . ?
N204 Zn2 N266 C267 17.5(8) . . . . ?
N201 Zn2 N266 C267 -71.4(8) . . . . ?
N202 Zn2 N266 C267 -161.6(8) . . . . ?
N203 Zn2 N266 C267 108.0(8) . . . . ?
N204 Zn2 N266 C265 -165.0(7) . . . . ?
N201 Zn2 N266 C265 106.0(7) . . . . ?
N202 Zn2 N266 C265 15.8(7) . . . . ?
N203 Zn2 N266 C265 -74.5(7) . . . . ?
C265 N266 C267 C262 1.1(15) . . . . ?
Zn2 N266 C267 C262 178.5(7) . . . . ?
C263 C262 C267 N266 -3.6(14) . . . . ?
C261 C262 C267 N266 178.7(10) . . . . ?
C218 C217 C271 C272 -106.4(12) . . . . ?
C216 C217 C271 C272 75.9(12) . . . . ?
C218 C217 C271 C276 70.9(13) . . . . ?
C216 C217 C271 C276 -106.7(12) . . . . ?
C276 C271 C272 C273 0.7(13) . . . . ?
C217 C271 C272 C273 178.1(11) . . . . ?
C271 C272 C273 C274 0.1(14) . . . . ?
C272 C273 C274 C275 -1.6(16) . . . . ?
C273 C274 C275 C276 2.2(18) . . . . ?
C274 C275 C276 C271 -1.4(18) . . . . ?
C274 C275 C276 N277 179.9(10) . . . . ?
C272 C271 C276 C275 -0.1(16) . . . . ?
C217 C271 C276 C275 -177.5(11) . . . . ?
C272 C271 C276 N277 178.6(10) . . . . ?
C217 C271 C276 N277 1.2(16) . . . . ?
C275 C276 N277 C278 -102.0(14) . . . . ?
C271 C276 N277 C278 79.3(14) . . . . ?
C276 N277 C278 O279 10.5(17) . . . . ?
C276 N277 C278 C280 -169.2(10) . . . . ?
O279 C278 C280 C281 52.4(17) . . . . ?
N277 C278 C280 C281 -127.9(11) . . . . ?
O279 C278 C280 C285 -125.8(14) . . . . ?
N277 C278 C280 C285 53.9(16) . . . . ?
C285 C280 C281 C282 1.4(14) . . . . ?
C278 C280 C281 C282 -176.9(12) . . . . ?
C280 C281 C282 C283 2.2(13) . . . . ?
C281 C282 C283 C284 -3.1(19) . . . . ?
C282 C283 C284 C285 0(2) . . . . ?
C282 C283 C284 C286 -174.4(12) . . . . ?
C283 C284 C285 C280 4(2) . . . . ?
C286 C284 C285 C280 177.8(12) . . . . ?
C281 C280 C285 C284 -4(2) . . . . ?
C278 C280 C285 C284 173.7(14) . . . . ?
C285 C284 C286 N287 126.4(15) . . . . ?
C283 C284 C286 N287 -59.3(16) . . . . ?
C284 C286 N287 C311 166.7(10) . . . . ?
C284 C286 N287 C306 -64.9(12) . . . . ?
C213 C212 C291 C292 -85.7(13) . . . . ?
C211 C212 C291 C292 100.7(12) . . . . ?
C213 C212 C291 C296 95.0(12) . . . . ?
C211 C212 C291 C296 -78.6(14) . . . . ?
C296 C291 C292 C293 1.3(13) . . . . ?
C212 C291 C292 C293 -178.0(11) . . . . ?
C291 C292 C293 C294 0.0(13) . . . . ?
C292 C293 C294 C295 -0.6(18) . . . . ?
C293 C294 C295 C296 0(2) . . . . ?
C294 C295 C296 N297 178.9(12) . . . . ?
C294 C295 C296 C291 1.4(19) . . . . ?
C292 C291 C296 N297 -179.6(10) . . . . ?
C212 C291 C296 N297 -0.2(16) . . . . ?
C292 C291 C296 C295 -2.0(16) . . . . ?
C212 C291 C296 C295 177.4(11) . . . . ?
C295 C296 N297 C298 -29(2) . . . . ?
C291 C296 N297 C298 148.3(12) . . . . ?
C296 N297 C298 O299 7(2) . . . . ?
C296 N297 C298 C300 -172.4(11) . . . . ?
O299 C298 C300 C305 -154.2(11) . . . . ?
N297 C298 C300 C305 25.0(17) . . . . ?
O299 C298 C300 C301 33.1(15) . . . . ?
N297 C298 C300 C301 -147.7(10) . . . . ?
C305 C300 C301 C302 3.0(11) . . . . ?
C298 C300 C301 C302 176.3(9) . . . . ?
C300 C301 C302 C303 -0.7(11) . . . . ?
C301 C302 C303 C304 1.2(15) . . . . ?
C302 C303 C304 C305 -3.6(16) . . . . ?
C302 C303 C304 C306 172.7(10) . . . . ?
C301 C300 C305 C304 -6.3(16) . . . . ?
C298 C300 C305 C304 -178.8(11) . . . . ?
C303 C304 C305 C300 6.4(17) . . . . ?
C306 C304 C305 C300 -170.1(10) . . . . ?
C311 N287 C306 C304 -131.3(9) . . . . ?
C286 N287 C306 C304 102.4(10) . . . . ?
C305 C304 C306 N287 -158.8(10) . . . . ?
C303 C304 C306 N287 25.2(16) . . . . ?
C286 N287 C311 C312 -161.4(9) . . . . ?
C306 N287 C311 C312 72.0(11) . . . . ?
N287 C311 C312 C313 -109.1(11) . . . . ?
N287 C311 C312 C317 64.7(13) . . . . ?
C317 C312 C313 C314 1.9(12) . . . . ?
C311 C312 C313 C314 175.4(9) . . . . ?
C312 C313 C314 C315 1.9(12) . . . . ?
C313 C314 C315 N316 -0.9(15) . . . . ?
C314 C315 N316 C317 -4.4(17) . . . . ?
C315 N316 C317 C312 8.4(16) . . . . ?
C313 C312 C317 N316 -7.2(15) . . . . ?
C311 C312 C317 N316 178.7(10) . . . . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.500 0.521 0.494 1718 420 ' '
2 -0.500 -0.021 0.994 1718 419 ' '
