# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 1523788'
_audit_update_record             
;
2016-12-21 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H108 N8 Na4 O4 Zn4'
_chemical_formula_weight         1358.98

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   23.1503(9)
_cell_length_b                   21.5759(9)
_cell_length_c                   17.4754(6)
_cell_angle_alpha                90
_cell_angle_beta                 108.3020(10)
_cell_angle_gamma                90
_cell_volume                     8287.2(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9981
_cell_measurement_theta_min      2.78
_cell_measurement_theta_max      24.56

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.089
_exptl_crystal_F_000             2880
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.370
_exptl_crystal_size_min          0.350
_exptl_absorpt_coefficient_mu    1.204
_shelx_estimated_absorpt_T_min   0.644
_shelx_estimated_absorpt_T_max   0.678
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            69166
_diffrn_reflns_av_unetI/netI     0.0681
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.780
_diffrn_reflns_theta_max         25.050
_diffrn_reflns_theta_full        25.050
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measured_fraction_theta_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_point_group_measured_fraction_full 0.968
_reflns_number_total             14215
_reflns_number_gt                8845
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1134P)²+4.1224P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14215
_refine_ls_number_parameters     820
_refine_ls_number_restraints     207
_refine_ls_R_factor_all          0.1115
_refine_ls_R_factor_gt           0.0680
_refine_ls_wR_factor_ref         0.2089
_refine_ls_wR_factor_gt          0.1908
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O2 O 0.3928(3) 0.0479(2) 0.7806(3) 0.0857(15) Uani 1 1 d D . . . .
C27A C 0.3532(12) 0.0072(11) 0.8008(15) 0.146(10) Uani 0.466(17) 1 d D U P A 1
H27A H 0.3165 0.0296 0.8031 0.176 Uiso 0.466(17) 1 calc R U P A 1
H27B H 0.3733 -0.0116 0.8543 0.176 Uiso 0.466(17) 1 calc R U P A 1
C28A C 0.3361(11) -0.0418(9) 0.7380(12) 0.117(9) Uani 0.466(17) 1 d D U P A 1
H28A H 0.2914 -0.0447 0.7135 0.141 Uiso 0.466(17) 1 calc R U P A 1
H28B H 0.3524 -0.0827 0.7602 0.141 Uiso 0.466(17) 1 calc R U P A 1
C29A C 0.3671(9) -0.0181(11) 0.6752(11) 0.114(8) Uani 0.466(17) 1 d D U P A 1
H29A H 0.3783 -0.0525 0.6453 0.137 Uiso 0.466(17) 1 calc R U P A 1
H29B H 0.3413 0.0122 0.6369 0.137 Uiso 0.466(17) 1 calc R U P A 1
C30A C 0.4207(8) 0.0113(10) 0.7328(13) 0.083(7) Uani 0.466(17) 1 d D U P A 1
H30A H 0.4489 -0.0200 0.7660 0.099 Uiso 0.466(17) 1 calc R U P A 1
H30B H 0.4429 0.0375 0.7049 0.099 Uiso 0.466(17) 1 calc R U P A 1
C27B C 0.4042(11) 0.0099(14) 0.7192(18) 0.156(14) Uani 0.534(17) 1 d D U P A 2
H27C H 0.4468 -0.0050 0.7369 0.188 Uiso 0.534(17) 1 calc R U P A 2
H27D H 0.3969 0.0337 0.6687 0.188 Uiso 0.534(17) 1 calc R U P A 2
C28B C 0.3619(11) -0.0423(10) 0.7070(19) 0.172(12) Uani 0.534(17) 1 d D U P A 2
H28C H 0.3725 -0.0712 0.7534 0.206 Uiso 0.534(17) 1 calc R U P A 2
H28D H 0.3583 -0.0653 0.6567 0.206 Uiso 0.534(17) 1 calc R U P A 2
C29B C 0.3042(8) -0.0034(12) 0.7011(14) 0.161(10) Uani 0.534(17) 1 d D U P A 2
H29C H 0.2876 0.0161 0.6474 0.193 Uiso 0.534(17) 1 calc R U P A 2
H29D H 0.2722 -0.0291 0.7120 0.193 Uiso 0.534(17) 1 calc R U P A 2
C30B C 0.3278(6) 0.0427(9) 0.7637(12) 0.112(7) Uani 0.534(17) 1 d D U P A 2
H30C H 0.3083 0.0833 0.7457 0.134 Uiso 0.534(17) 1 calc R U P A 2
H30D H 0.3186 0.0304 0.8132 0.134 Uiso 0.534(17) 1 calc R U P A 2
O3 O 0.9750(3) 0.3628(3) 0.7253(4) 0.108(2) Uani 1 1 d D . . . .
C53A C 0.9967(8) 0.3973(14) 0.7987(13) 0.197(11) Uani 0.636(19) 1 d D U P B 1
H53A H 0.9831 0.3778 0.8413 0.237 Uiso 0.636(19) 1 calc R U P B 1
H53B H 0.9811 0.4403 0.7905 0.237 Uiso 0.636(19) 1 calc R U P B 1
C54A C 1.0626(7) 0.3969(10) 0.8213(9) 0.122(7) Uani 0.636(19) 1 d D U P B 1
H54A H 1.0801 0.3569 0.8455 0.146 Uiso 0.636(19) 1 calc R U P B 1
H54B H 1.0811 0.4313 0.8584 0.146 Uiso 0.636(19) 1 calc R U P B 1
C55A C 1.0690(7) 0.4067(10) 0.7341(12) 0.129(7) Uani 0.636(19) 1 d D U P B 1
H55A H 1.0610 0.4502 0.7158 0.155 Uiso 0.636(19) 1 calc R U P B 1
H55B H 1.1096 0.3940 0.7321 0.155 Uiso 0.636(19) 1 calc R U P B 1
C56A C 1.0218(7) 0.3656(11) 0.6881(10) 0.143(8) Uani 0.636(19) 1 d D U P B 1
H56A H 1.0048 0.3810 0.6322 0.172 Uiso 0.636(19) 1 calc R U P B 1
H56B H 1.0388 0.3237 0.6864 0.172 Uiso 0.636(19) 1 calc R U P B 1
C53B C 1.0133(14) 0.4025(19) 0.6957(17) 0.194(18) Uani 0.364(19) 1 d D U P B 2
H53C H 0.9891 0.4355 0.6606 0.232 Uiso 0.364(19) 1 calc R U P B 2
H53D H 1.0350 0.3784 0.6649 0.232 Uiso 0.364(19) 1 calc R U P B 2
C54B C 1.0561(13) 0.4289(14) 0.768(2) 0.132(12) Uani 0.364(19) 1 d D U P B 2
H54C H 1.0370 0.4552 0.8001 0.158 Uiso 0.364(19) 1 calc R U P B 2
H54D H 1.0915 0.4499 0.7595 0.158 Uiso 0.364(19) 1 calc R U P B 2
C55B C 1.0713(10) 0.348(2) 0.806(2) 0.200(19) Uani 0.364(19) 1 d D U P B 2
H55C H 1.0774 0.3180 0.7660 0.241 Uiso 0.364(19) 1 calc R U P B 2
H55D H 1.1028 0.3436 0.8589 0.241 Uiso 0.364(19) 1 calc R U P B 2
C56B C 1.0102(8) 0.3517(11) 0.8083(9) 0.076(8) Uani 0.364(19) 1 d D U P B 2
H56C H 1.0056 0.3862 0.8434 0.092 Uiso 0.364(19) 1 calc R U P B 2
H56D H 0.9979 0.3125 0.8282 0.092 Uiso 0.364(19) 1 calc R U P B 2
Zn1 Zn 0.38702(3) 0.34463(3) 0.73157(4) 0.0434(2) Uani 1 1 d . . . . .
Zn2 Zn 0.30708(3) 0.32848(3) 0.82671(4) 0.0455(2) Uani 1 1 d . . . . .
Zn3 Zn 0.72781(3) 0.21082(3) 0.53099(4) 0.0415(2) Uani 1 1 d . . . . .
Zn4 Zn 0.77070(3) 0.15902(4) 0.68908(4) 0.0555(2) Uani 1 1 d . . . . .
Na1 Na 0.43296(11) 0.14575(10) 0.80938(13) 0.0507(6) Uani 1 1 d . . . . .
Na2 Na 0.38435(13) 0.23153(14) 1.05627(16) 0.0791(8) Uani 1 1 d . . . . .
Na3 Na 0.79505(12) 0.25230(14) 0.39054(16) 0.0746(8) Uani 1 1 d . . . . .
Na4 Na 0.87272(11) 0.34043(12) 0.67333(15) 0.0605(7) Uani 1 1 d . . . . .
O1 O 0.5280(2) 0.1031(3) 0.8760(3) 0.0882(11) Uani 1 1 d . U . . .
O4 O 0.8449(3) 0.4459(2) 0.6554(4) 0.0934(16) Uani 1 1 d . . . . .
N1 N 0.4121(2) 0.25341(19) 0.7185(3) 0.0400(11) Uani 1 1 d . . . . .
N2 N 0.29887(19) 0.3068(2) 0.7059(3) 0.0426(11) Uani 1 1 d . . . . .
N3 N 0.3485(2) 0.2489(2) 0.8855(3) 0.0449(11) Uani 1 1 d . . . . .
N4 N 0.3978(2) 0.35873(19) 0.8519(3) 0.0407(11) Uani 1 1 d . . . . .
N5 N 0.8005(2) 0.2724(2) 0.5435(3) 0.0504(12) Uani 1 1 d . . . . .
N6 N 0.7988(2) 0.1488(2) 0.5882(3) 0.0476(12) Uani 1 1 d . . . . .
N7 N 0.8179(2) 0.2382(3) 0.7444(3) 0.0617(14) Uani 1 1 d . . . . .
N8 N 0.70189(19) 0.2242(2) 0.6319(3) 0.0471(12) Uani 1 1 d . . . . .
C1 C 0.4593(3) 0.2243(3) 0.7016(3) 0.0456(14) Uani 1 1 d . . . . .
H1 H 0.5001 0.2389 0.7184 0.055 Uiso 1 1 calc R U . . .
C2 C 0.4400(3) 0.1713(3) 0.6573(3) 0.0498(15) Uani 1 1 d . . . . .
H2 H 0.4642 0.1430 0.6387 0.060 Uiso 1 1 calc R U . . .
C3 C 0.3762(3) 0.1675(2) 0.6451(3) 0.0496(15) Uani 1 1 d . . . . .
H3 H 0.3491 0.1364 0.6160 0.059 Uiso 1 1 calc R U . . .
C4 C 0.3614(3) 0.2184(2) 0.6841(3) 0.0382(13) Uani 1 1 d . . . . .
C5 C 0.3020(2) 0.2391(3) 0.6936(3) 0.0448(14) Uani 1 1 d . . . . .
H5A H 0.2684 0.2270 0.6449 0.054 Uiso 1 1 calc R U . . .
H5B H 0.2957 0.2173 0.7403 0.054 Uiso 1 1 calc R U . . .
C6 C 0.2481(3) 0.3366(3) 0.6406(4) 0.0591(17) Uani 1 1 d . . . . .
C7 C 0.2566(3) 0.3282(3) 0.5570(4) 0.071(2) Uani 1 1 d . . . . .
H7A H 0.2965 0.3443 0.5584 0.107 Uiso 1 1 calc R U . . .
H7B H 0.2246 0.3509 0.5164 0.107 Uiso 1 1 calc R U . . .
H7C H 0.2541 0.2840 0.5431 0.107 Uiso 1 1 calc R U . . .
C8 C 0.1856(3) 0.3110(4) 0.6412(4) 0.081(2) Uani 1 1 d . . . . .
H8A H 0.1838 0.2663 0.6305 0.121 Uiso 1 1 calc R U . . .
H8B H 0.1529 0.3319 0.5995 0.121 Uiso 1 1 calc R U . . .
H8C H 0.1806 0.3186 0.6941 0.121 Uiso 1 1 calc R U . . .
C9 C 0.2479(3) 0.4045(3) 0.6561(4) 0.070(2) Uani 1 1 d . . . . .
H9A H 0.2420 0.4117 0.7085 0.106 Uiso 1 1 calc R U . . .
H9B H 0.2147 0.4242 0.6137 0.106 Uiso 1 1 calc R U . . .
H9C H 0.2868 0.4225 0.6563 0.106 Uiso 1 1 calc R U . . .
C10 C 0.4189(3) 0.3989(3) 0.6574(4) 0.0644(18) Uani 1 1 d . . . . .
H10A H 0.3894 0.3971 0.6024 0.077 Uiso 1 1 calc R U . . .
H10B H 0.4205 0.4424 0.6761 0.077 Uiso 1 1 calc R U . . .
C11 C 0.4807(3) 0.3814(3) 0.6530(4) 0.079(2) Uani 1 1 d . . . . .
H11A H 0.5107 0.3844 0.7068 0.119 Uiso 1 1 calc R U . . .
H11B H 0.4921 0.4097 0.6162 0.119 Uiso 1 1 calc R U . . .
H11C H 0.4796 0.3388 0.6332 0.119 Uiso 1 1 calc R U . . .
C12 C 0.4100(2) 0.2535(2) 0.9118(3) 0.0369(12) Uani 1 1 d . . . . .
C13 C 0.4352(3) 0.1977(3) 0.9456(3) 0.0448(14) Uani 1 1 d . . . . .
H13 H 0.4773 0.1888 0.9691 0.054 Uiso 1 1 calc R U . . .
C14 C 0.3864(3) 0.1568(3) 0.9385(3) 0.0477(15) Uani 1 1 d . . . . .
H14 H 0.3889 0.1148 0.9555 0.057 Uiso 1 1 calc R U . . .
C15 C 0.3348(3) 0.1897(3) 0.9021(3) 0.0488(15) Uani 1 1 d . . . . .
H15 H 0.2934 0.1708 0.8808 0.059 Uiso 1 1 calc R U . . .
C16 C 0.4399(2) 0.3129(3) 0.9022(3) 0.0466(14) Uani 1 1 d . . . . .
H16A H 0.4594 0.3310 0.9562 0.056 Uiso 1 1 calc R U . . .
H16B H 0.4723 0.3039 0.8779 0.056 Uiso 1 1 calc R U . . .
C17 C 0.4142(3) 0.4234(3) 0.8824(3) 0.0510(15) Uani 1 1 d . . . . .
C18 C 0.4785(3) 0.4406(3) 0.8839(4) 0.0690(19) Uani 1 1 d . . . . .
H18A H 0.5077 0.4120 0.9193 0.103 Uiso 1 1 calc R U . . .
H18B H 0.4877 0.4831 0.9041 0.103 Uiso 1 1 calc R U . . .
H18C H 0.4814 0.4379 0.8292 0.103 Uiso 1 1 calc R U . . .
C19 C 0.3703(3) 0.4692(3) 0.8250(4) 0.0656(18) Uani 1 1 d . . . . .
H19A H 0.3745 0.4659 0.7711 0.098 Uiso 1 1 calc R U . . .
H19B H 0.3800 0.5116 0.8452 0.098 Uiso 1 1 calc R U . . .
H19C H 0.3283 0.4594 0.8222 0.098 Uiso 1 1 calc R U . . .
C20 C 0.4070(3) 0.4323(3) 0.9663(4) 0.072(2) Uani 1 1 d . . . . .
H20A H 0.3650 0.4232 0.9637 0.108 Uiso 1 1 calc R U . . .
H20B H 0.4169 0.4752 0.9839 0.108 Uiso 1 1 calc R U . . .
H20C H 0.4346 0.4041 1.0047 0.108 Uiso 1 1 calc R U . . .
C21 C 0.2389(3) 0.3647(4) 0.8608(4) 0.073(2) Uani 1 1 d . . . . .
H21A H 0.2387 0.4101 0.8525 0.088 Uiso 1 1 calc R U . . .
H21B H 0.2000 0.3484 0.8243 0.088 Uiso 1 1 calc R U . . .
C22 C 0.2400(4) 0.3533(5) 0.9439(5) 0.115(3) Uani 1 1 d . . . . .
H22A H 0.2300 0.3098 0.9498 0.173 Uiso 1 1 calc R U . . .
H22B H 0.2100 0.3801 0.9566 0.173 Uiso 1 1 calc R U . . .
H22C H 0.2806 0.3625 0.9809 0.173 Uiso 1 1 calc R U . . .
C23 C 0.5820(4) 0.1070(4) 0.8551(6) 0.0994(13) Uani 1 1 d . U . . .
H23A H 0.5881 0.1500 0.8394 0.119 Uiso 1 1 calc R U . . .
H23B H 0.5794 0.0794 0.8089 0.119 Uiso 1 1 calc R U . . .
C24 C 0.6316(4) 0.0886(5) 0.9237(6) 0.1068(14) Uani 1 1 d . U . . .
H24A H 0.6595 0.0606 0.9073 0.128 Uiso 1 1 calc R U . . .
H24B H 0.6549 0.1253 0.9507 0.128 Uiso 1 1 calc R U . . .
C25 C 0.6051(4) 0.0576(5) 0.9758(6) 0.1065(14) Uani 1 1 d . U . . .
H25A H 0.6176 0.0778 1.0294 0.128 Uiso 1 1 calc R U . . .
H25B H 0.6187 0.0139 0.9828 0.128 Uiso 1 1 calc R U . . .
C26 C 0.5379(4) 0.0606(4) 0.9391(5) 0.0963(13) Uani 1 1 d . U . . .
H26A H 0.5213 0.0195 0.9186 0.116 Uiso 1 1 calc R U . . .
H26B H 0.5185 0.0749 0.9791 0.116 Uiso 1 1 calc R U . . .
C31 C 0.8094(3) 0.3287(3) 0.5117(4) 0.0581(17) Uani 1 1 d . . . . .
H31 H 0.7793 0.3598 0.4926 0.070 Uiso 1 1 calc R U . . .
C32 C 0.8684(3) 0.3328(3) 0.5119(4) 0.0668(19) Uani 1 1 d . . . . .
H32 H 0.8864 0.3666 0.4929 0.080 Uiso 1 1 calc R U . . .
C33 C 0.8979(3) 0.2765(3) 0.5465(4) 0.0656(19) Uani 1 1 d . . . . .
H33 H 0.9393 0.2657 0.5555 0.079 Uiso 1 1 calc R U . . .
C34 C 0.8542(2) 0.2407(3) 0.5640(3) 0.0439(14) Uani 1 1 d . . . . .
C35 C 0.8580(2) 0.1779(3) 0.6014(4) 0.0508(15) Uani 1 1 d . . . . .
H35A H 0.8832 0.1508 0.5789 0.061 Uiso 1 1 calc R U . . .
H35B H 0.8787 0.1816 0.6601 0.061 Uiso 1 1 calc R U . . .
C36 C 0.7980(3) 0.0838(3) 0.5541(4) 0.0633(18) Uani 1 1 d . . . . .
C37 C 0.7352(3) 0.0555(3) 0.5439(5) 0.078(2) Uani 1 1 d . . . . .
H37A H 0.7293 0.0514 0.5968 0.117 Uiso 1 1 calc R U . . .
H37B H 0.7325 0.0146 0.5188 0.117 Uiso 1 1 calc R U . . .
H37C H 0.7036 0.0826 0.5096 0.117 Uiso 1 1 calc R U . . .
C38 C 0.8467(3) 0.0428(3) 0.6126(5) 0.094(3) Uani 1 1 d . . . . .
H38A H 0.8872 0.0572 0.6145 0.140 Uiso 1 1 calc R U . . .
H38B H 0.8413 -0.0003 0.5938 0.140 Uiso 1 1 calc R U . . .
H38C H 0.8424 0.0453 0.6665 0.140 Uiso 1 1 calc R U . . .
C39 C 0.8072(4) 0.0866(4) 0.4717(5) 0.084(2) Uani 1 1 d . . . . .
H39A H 0.7746 0.1114 0.4350 0.126 Uiso 1 1 calc R U . . .
H39B H 0.8062 0.0446 0.4501 0.126 Uiso 1 1 calc R U . . .
H39C H 0.8466 0.1057 0.4768 0.126 Uiso 1 1 calc R U . . .
C40 C 0.6795(3) 0.2126(3) 0.4116(4) 0.0575(16) Uani 1 1 d . . . . .
H40A H 0.6822 0.2555 0.3931 0.069 Uiso 1 1 calc R U . . .
H40B H 0.7020 0.1862 0.3842 0.069 Uiso 1 1 calc R U . . .
C41 C 0.6141(3) 0.1941(4) 0.3786(4) 0.081(2) Uani 1 1 d . . . . .
H41A H 0.6094 0.1512 0.3941 0.121 Uiso 1 1 calc R U . . .
H41B H 0.6007 0.1974 0.3197 0.121 Uiso 1 1 calc R U . . .
H41C H 0.5894 0.2215 0.4004 0.121 Uiso 1 1 calc R U . . .
C42 C 0.8701(3) 0.2541(4) 0.8021(4) 0.0664(19) Uani 1 1 d . . . . .
H42 H 0.9045 0.2279 0.8220 0.080 Uiso 1 1 calc R U . . .
C43 C 0.8662(3) 0.3136(4) 0.8276(4) 0.073(2) Uani 1 1 d . . . . .
H43 H 0.8964 0.3352 0.8684 0.088 Uiso 1 1 calc R U . . .
C44 C 0.8083(3) 0.3368(3) 0.7814(4) 0.0639(18) Uani 1 1 d . . . . .
H44 H 0.7922 0.3768 0.7847 0.077 Uiso 1 1 calc R U . . .
C45 C 0.7801(3) 0.2887(3) 0.7301(3) 0.0533(16) Uani 1 1 d . . . . .
C46 C 0.7188(3) 0.2868(3) 0.6658(4) 0.0606(17) Uani 1 1 d . . . . .
H46A H 0.6874 0.3016 0.6891 0.073 Uiso 1 1 calc R U . . .
H46B H 0.7192 0.3154 0.6217 0.073 Uiso 1 1 calc R U . . .
C47 C 0.6377(2) 0.2092(3) 0.6267(3) 0.0566(17) Uani 1 1 d . . . . .
C48 C 0.5932(3) 0.2565(3) 0.5771(4) 0.0673(19) Uani 1 1 d . . . . .
H48A H 0.6010 0.2969 0.6041 0.101 Uiso 1 1 calc R U . . .
H48B H 0.5515 0.2434 0.5714 0.101 Uiso 1 1 calc R U . . .
H48C H 0.5982 0.2599 0.5236 0.101 Uiso 1 1 calc R U . . .
C49 C 0.6295(3) 0.2032(5) 0.7104(4) 0.104(3) Uani 1 1 d . . . . .
H49A H 0.6563 0.1704 0.7409 0.156 Uiso 1 1 calc R U . . .
H49B H 0.5871 0.1927 0.7043 0.156 Uiso 1 1 calc R U . . .
H49C H 0.6400 0.2426 0.7394 0.156 Uiso 1 1 calc R U . . .
C50 C 0.6214(3) 0.1461(3) 0.5849(4) 0.071(2) Uani 1 1 d . . . . .
H50A H 0.6242 0.1487 0.5301 0.107 Uiso 1 1 calc R U . . .
H50B H 0.5799 0.1348 0.5823 0.107 Uiso 1 1 calc R U . . .
H50C H 0.6499 0.1146 0.6155 0.107 Uiso 1 1 calc R U . . .
C51 C 0.7653(4) 0.0940(6) 0.7704(6) 0.139(5) Uani 1 1 d . . . . .
H51A H 0.7428 0.1125 0.8046 0.166 Uiso 1 1 calc R U . . .
H51B H 0.7404 0.0593 0.7403 0.166 Uiso 1 1 calc R U . . .
C52A C 0.8184(7) 0.0697(8) 0.8205(10) 0.123(6) Uani 0.6 1 d . U P . .
H52A H 0.8291 0.0324 0.7958 0.184 Uiso 1 1 calc R U . . .
H52B H 0.8131 0.0588 0.8723 0.184 Uiso 1 1 calc R U . . .
H52C H 0.8511 0.1003 0.8292 0.184 Uiso 1 1 calc R U . . .
C52B C 0.7670(12) 0.0900(12) 0.8380(17) 0.116(8) Uani 0.4 1 d . U P . .
C57 C 0.8789(5) 0.4883(6) 0.6265(9) 0.165(3) Uani 1 1 d . U . . .
H57A H 0.9011 0.4668 0.5942 0.198 Uiso 1 1 calc R U . . .
H57B H 0.9087 0.5101 0.6717 0.198 Uiso 1 1 calc R U . . .
C58 C 0.8354(5) 0.5316(6) 0.5769(9) 0.167(3) Uani 1 1 d . U . . .
H58A H 0.8491 0.5746 0.5923 0.200 Uiso 1 1 calc R U . . .
H58B H 0.8322 0.5256 0.5196 0.200 Uiso 1 1 calc R U . . .
C59 C 0.7787(6) 0.5221(6) 0.5873(9) 0.166(3) Uani 1 1 d . U . . .
H59A H 0.7469 0.5176 0.5344 0.199 Uiso 1 1 calc R U . . .
H59B H 0.7680 0.5577 0.6160 0.199 Uiso 1 1 calc R U . . .
C60 C 0.7833(5) 0.4671(6) 0.6333(9) 0.164(3) Uani 1 1 d . U . . .
H60A H 0.7556 0.4350 0.6012 0.197 Uiso 1 1 calc R U . . .
H60B H 0.7717 0.4755 0.6823 0.197 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O2 C27A 1.393(14) . ?
O2 C27B 1.438(14) . ?
O2 C30A 1.442(12) . ?
O2 C30B 1.443(13) . ?
O2 Na1 2.298(5) . ?
C27A C28A 1.485(17) . ?
C27A H27A 0.9900 . ?
C27A H27B 0.9900 . ?
C28A C29A 1.57(2) . ?
C28A H28A 0.9900 . ?
C28A H28B 0.9900 . ?
C29A C30A 1.473(18) . ?
C29A H29A 0.9900 . ?
C29A H29B 0.9900 . ?
C30A H30A 0.9900 . ?
C30A H30B 0.9900 . ?
C27B C28B 1.464(18) . ?
C27B H27C 0.9900 . ?
C27B H27D 0.9900 . ?
C28B C29B 1.55(2) . ?
C28B H28C 0.9900 . ?
C28B H28D 0.9900 . ?
C29B C30B 1.454(16) . ?
C29B H29C 0.9900 . ?
C29B H29D 0.9900 . ?
C30B H30C 0.9900 . ?
C30B H30D 0.9900 . ?
O3 C56A 1.428(13) . ?
O3 C53A 1.431(15) . ?
O3 C53B 1.442(17) . ?
O3 C56B 1.445(14) . ?
O3 Na4 2.305(6) . ?
C53A C54A 1.450(16) . ?
C53A H53A 0.9900 . ?
C53A H53B 0.9900 . ?
C54A C55A 1.59(2) . ?
C54A H54A 0.9900 . ?
C54A H54B 0.9900 . ?
C55A C56A 1.441(16) . ?
C55A H55A 0.9900 . ?
C55A H55B 0.9900 . ?
C56A H56A 0.9900 . ?
C56A H56B 0.9900 . ?
C53B C54B 1.46(2) . ?
C53B H53C 0.9900 . ?
C53B H53D 0.9900 . ?
C54B C55B 1.86(5) . ?
C54B H54C 0.9900 . ?
C54B H54D 0.9900 . ?
C55B C56B 1.431(19) . ?
C55B H55C 0.9900 . ?
C55B H55D 0.9900 . ?
C56B H56C 0.9900 . ?
C56B H56D 0.9900 . ?
Zn1 C10 2.049(6) . ?
Zn1 N4 2.060(4) . ?
Zn1 N1 2.085(4) . ?
Zn1 N2 2.111(4) . ?
Zn1 Zn2 2.8709(9) . ?
Zn1 Na2 3.460(3) 4_565 ?
Zn2 C21 2.013(6) . ?
Zn2 N3 2.075(5) . ?
Zn2 N4 2.110(4) . ?
Zn2 N2 2.112(4) . ?
Zn3 C40 2.034(6) . ?
Zn3 N8 2.054(4) . ?
Zn3 N5 2.101(5) . ?
Zn3 N6 2.112(4) . ?
Zn3 Zn4 2.8540(9) . ?
Zn4 C51 2.028(9) . ?
Zn4 N6 2.073(5) . ?
Zn4 N7 2.094(6) . ?
Zn4 N8 2.124(5) . ?
Na1 O1 2.331(5) . ?
Na1 C13 2.617(5) . ?
Na1 C1 2.741(6) . ?
Na1 C2 2.769(6) . ?
Na1 N1 2.769(5) . ?
Na1 C4 2.777(5) . ?
Na1 C3 2.797(6) . ?
Na1 C14 2.799(6) . ?
Na1 C12 3.080(5) . ?
Na2 C14 2.627(6) . ?
Na2 C13 2.663(6) . ?
Na2 C4 2.680(6) 4_566 ?
Na2 C3 2.715(6) 4_566 ?
Na2 N1 2.723(5) 4_566 ?
Na2 C15 2.729(6) . ?
Na2 C1 2.758(6) 4_566 ?
Na2 C2 2.784(6) 4_566 ?
Na2 C12 2.809(6) . ?
Na2 N3 2.860(5) . ?
Na2 Zn1 3.460(3) 4_566 ?
Na3 C31 2.621(7) . ?
Na3 C43 2.661(7) 4_565 ?
Na3 C42 2.667(7) 4_565 ?
Na3 N5 2.672(5) . ?
Na3 N7 2.774(6) 4_565 ?
Na3 C44 2.792(7) 4_565 ?
Na3 C32 2.853(7) . ?
Na3 C45 2.855(6) 4_565 ?
Na3 C34 2.919(6) . ?
Na3 C33 3.048(7) . ?
Na4 O4 2.359(6) . ?
Na4 C44 2.750(6) . ?
Na4 C31 2.755(7) . ?
Na4 N5 2.777(5) . ?
Na4 C32 2.795(7) . ?
Na4 C43 2.808(7) . ?
Na4 C34 2.819(6) . ?
Na4 C33 2.823(7) . ?
Na4 C45 2.858(6) . ?
Na4 C42 2.935(7) . ?
Na4 N7 3.001(6) . ?
O1 C26 1.396(9) . ?
O1 C23 1.411(9) . ?
O4 C57 1.400(11) . ?
O4 C60 1.432(11) . ?
N1 C4 1.366(6) . ?
N1 C1 1.371(7) . ?
N1 Na2 2.723(5) 4_565 ?
N2 C5 1.481(7) . ?
N2 C6 1.501(7) . ?
N3 C12 1.356(6) . ?
N3 C15 1.368(7) . ?
N4 C16 1.471(7) . ?
N4 C17 1.499(7) . ?
N5 C34 1.365(7) . ?
N5 C31 1.378(7) . ?
N6 C35 1.459(7) . ?
N6 C36 1.521(8) . ?
N7 C42 1.353(8) . ?
N7 C45 1.370(8) . ?
N7 Na3 2.774(6) 4_566 ?
N8 C46 1.477(8) . ?
N8 C47 1.495(7) . ?
C1 C2 1.376(8) . ?
C1 Na2 2.758(6) 4_565 ?
C1 H1 0.9500 . ?
C2 C3 1.427(8) . ?
C2 Na2 2.784(6) 4_565 ?
C2 H2 0.9500 . ?
C3 C4 1.389(7) . ?
C3 Na2 2.715(6) 4_565 ?
C3 H3 0.9500 . ?
C4 C5 1.507(7) . ?
C4 Na2 2.680(6) 4_565 ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C9 1.490(9) . ?
C6 C7 1.545(9) . ?
C6 C8 1.553(9) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.506(9) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.387(7) . ?
C12 C16 1.490(7) . ?
C13 C14 1.408(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.362(8) . ?
C14 H14 0.9500 . ?
C15 H15 1.0000 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.527(8) . ?
C17 C20 1.538(8) . ?
C17 C19 1.542(8) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.465(9) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.431(11) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.416(11) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.486(11) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C31 C32 1.367(9) . ?
C31 H31 0.9500 . ?
C32 C33 1.432(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.381(8) . ?
C33 H33 0.9500 . ?
C34 C35 1.495(8) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C39 1.522(9) . ?
C36 C37 1.536(9) . ?
C36 C38 1.539(9) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.495(8) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.371(10) . ?
C42 Na3 2.667(7) 4_566 ?
C42 H42 0.9500 . ?
C43 C44 1.421(9) . ?
C43 Na3 2.661(7) 4_566 ?
C43 H43 0.9500 . ?
C44 C45 1.393(9) . ?
C44 Na3 2.792(7) 4_566 ?
C44 H44 0.9500 . ?
C45 C46 1.509(8) . ?
C45 Na3 2.855(6) 4_566 ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.515(8) . ?
C47 C50 1.535(9) . ?
C47 C49 1.539(9) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C52A 1.371(16) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52A H52A 0.9800 . ?
C52A H52B 0.9800 . ?
C52A H52C 0.9800 . ?
C57 C58 1.445(14) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.394(14) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.419(13) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C27A O2 C30A 104.5(13) . . ?
C27B O2 C30B 103.1(12) . . ?
C27A O2 Na1 141.0(9) . . ?
C27B O2 Na1 122.1(12) . . ?
C30A O2 Na1 114.0(8) . . ?
C30B O2 Na1 116.1(8) . . ?
O2 C27A C28A 107.7(13) . . ?
O2 C27A H27A 110.2 . . ?
C28A C27A H27A 110.2 . . ?
O2 C27A H27B 110.2 . . ?
C28A C27A H27B 110.2 . . ?
H27A C27A H27B 108.5 . . ?
C27A C28A C29A 102.1(12) . . ?
C27A C28A H28A 111.3 . . ?
C29A C28A H28A 111.3 . . ?
C27A C28A H28B 111.3 . . ?
C29A C28A H28B 111.3 . . ?
H28A C28A H28B 109.2 . . ?
C30A C29A C28A 97.7(12) . . ?
C30A C29A H29A 112.2 . . ?
C28A C29A H29A 112.2 . . ?
C30A C29A H29B 112.2 . . ?
C28A C29A H29B 112.2 . . ?
H29A C29A H29B 109.8 . . ?
O2 C30A C29A 101.3(13) . . ?
O2 C30A H30A 111.5 . . ?
C29A C30A H30A 111.5 . . ?
O2 C30A H30B 111.5 . . ?
C29A C30A H30B 111.5 . . ?
H30A C30A H30B 109.3 . . ?
O2 C27B C28B 106.1(16) . . ?
O2 C27B H27C 110.5 . . ?
C28B C27B H27C 110.5 . . ?
O2 C27B H27D 110.5 . . ?
C28B C27B H27D 110.5 . . ?
H27C C27B H27D 108.7 . . ?
C27B C28B C29B 96.6(14) . . ?
C27B C28B H28C 112.4 . . ?
C29B C28B H28C 112.4 . . ?
C27B C28B H28D 112.4 . . ?
C29B C28B H28D 112.4 . . ?
H28C C28B H28D 110.0 . . ?
C30B C29B C28B 102.0(13) . . ?
C30B C29B H29C 111.4 . . ?
C28B C29B H29C 111.4 . . ?
C30B C29B H29D 111.4 . . ?
C28B C29B H29D 111.4 . . ?
H29C C29B H29D 109.2 . . ?
O2 C30B C29B 109.2(12) . . ?
O2 C30B H30C 109.8 . . ?
C29B C30B H30C 109.8 . . ?
O2 C30B H30D 109.8 . . ?
C29B C30B H30D 109.8 . . ?
H30C C30B H30D 108.3 . . ?
C56A O3 C53A 106.4(11) . . ?
C53B O3 C56B 104.0(14) . . ?
C56A O3 Na4 131.5(8) . . ?
C53A O3 Na4 119.4(8) . . ?
C53B O3 Na4 130.9(13) . . ?
C56B O3 Na4 123.1(8) . . ?
O3 C53A C54A 106.6(13) . . ?
O3 C53A H53A 110.4 . . ?
C54A C53A H53A 110.4 . . ?
O3 C53A H53B 110.4 . . ?
C54A C53A H53B 110.4 . . ?
H53A C53A H53B 108.6 . . ?
C53A C54A C55A 98.3(12) . . ?
C53A C54A H54A 112.1 . . ?
C55A C54A H54A 112.1 . . ?
C53A C54A H54B 112.1 . . ?
C55A C54A H54B 112.1 . . ?
H54A C54A H54B 109.7 . . ?
C56A C55A C54A 99.8(12) . . ?
C56A C55A H55A 111.8 . . ?
C54A C55A H55A 111.8 . . ?
C56A C55A H55B 111.8 . . ?
C54A C55A H55B 111.8 . . ?
H55A C55A H55B 109.5 . . ?
O3 C56A C55A 108.9(12) . . ?
O3 C56A H56A 109.9 . . ?
C55A C56A H56A 109.9 . . ?
O3 C56A H56B 109.9 . . ?
C55A C56A H56B 109.9 . . ?
H56A C56A H56B 108.3 . . ?
O3 C53B C54B 104.2(17) . . ?
O3 C53B H53C 110.9 . . ?
C54B C53B H53C 110.9 . . ?
O3 C53B H53D 110.9 . . ?
C54B C53B H53D 110.9 . . ?
H53C C53B H53D 108.9 . . ?
C53B C54B C55B 87(2) . . ?
C53B C54B H54C 114.2 . . ?
C55B C54B H54C 114.2 . . ?
C53B C54B H54D 114.2 . . ?
C55B C54B H54D 114.2 . . ?
H54C C54B H54D 111.4 . . ?
C56B C55B C54B 83(2) . . ?
C56B C55B H55C 114.8 . . ?
C54B C55B H55C 114.8 . . ?
C56B C55B H55D 114.8 . . ?
C54B C55B H55D 114.8 . . ?
H55C C55B H55D 111.9 . . ?
C55B C56B O3 103.2(16) . . ?
C55B C56B H56C 111.1 . . ?
O3 C56B H56C 111.1 . . ?
C55B C56B H56D 111.1 . . ?
O3 C56B H56D 111.1 . . ?
H56C C56B H56D 109.1 . . ?
C10 Zn1 N4 127.5(2) . . ?
C10 Zn1 N1 107.6(2) . . ?
N4 Zn1 N1 107.60(17) . . ?
C10 Zn1 N2 127.1(2) . . ?
N4 Zn1 N2 94.23(17) . . ?
N1 Zn1 N2 84.03(17) . . ?
C10 Zn1 Zn2 149.47(19) . . ?
N4 Zn1 Zn2 47.23(12) . . ?
N1 Zn1 Zn2 101.61(12) . . ?
N2 Zn1 Zn2 47.19(12) . . ?
C10 Zn1 Na2 67.76(18) . 4_565 ?
N4 Zn1 Na2 159.45(13) . 4_565 ?
N1 Zn1 Na2 51.89(12) . 4_565 ?
N2 Zn1 Na2 83.15(13) . 4_565 ?
Zn2 Zn1 Na2 128.29(5) . 4_565 ?
C21 Zn2 N3 117.3(2) . . ?
C21 Zn2 N4 129.8(3) . . ?
N3 Zn2 N4 83.00(17) . . ?
C21 Zn2 N2 123.3(2) . . ?
N3 Zn2 N2 101.21(17) . . ?
N4 Zn2 N2 92.75(17) . . ?
C21 Zn2 Zn1 146.4(2) . . ?
N3 Zn2 Zn1 96.07(12) . . ?
N4 Zn2 Zn1 45.77(12) . . ?
N2 Zn2 Zn1 47.15(12) . . ?
C40 Zn3 N8 131.6(2) . . ?
C40 Zn3 N5 105.0(2) . . ?
N8 Zn3 N5 105.20(19) . . ?
C40 Zn3 N6 126.3(2) . . ?
N8 Zn3 N6 94.35(18) . . ?
N5 Zn3 N6 82.74(18) . . ?
C40 Zn3 Zn4 155.80(19) . . ?
N8 Zn3 Zn4 47.95(13) . . ?
N5 Zn3 Zn4 97.08(13) . . ?
N6 Zn3 Zn4 46.44(13) . . ?
C51 Zn4 N6 128.8(4) . . ?
C51 Zn4 N7 112.3(4) . . ?
N6 Zn4 N7 102.83(19) . . ?
C51 Zn4 N8 125.8(3) . . ?
N6 Zn4 N8 93.44(17) . . ?
N7 Zn4 N8 83.26(19) . . ?
C51 Zn4 Zn3 150.4(3) . . ?
N6 Zn4 Zn3 47.58(12) . . ?
N7 Zn4 Zn3 95.72(14) . . ?
N8 Zn4 Zn3 45.90(12) . . ?
O2 Na1 O1 90.0(2) . . ?
O2 Na1 C13 118.9(2) . . ?
O1 Na1 C13 88.17(19) . . ?
O2 Na1 C1 125.4(2) . . ?
O1 Na1 C1 102.02(19) . . ?
C13 Na1 C1 114.52(19) . . ?
O2 Na1 C2 96.57(19) . . ?
O1 Na1 C2 103.12(19) . . ?
C13 Na1 C2 142.92(19) . . ?
C1 Na1 C2 28.91(17) . . ?
O2 Na1 N1 131.26(18) . . ?
O1 Na1 N1 125.78(18) . . ?
C13 Na1 N1 96.47(16) . . ?
C1 Na1 N1 28.80(14) . . ?
C2 Na1 N1 48.32(15) . . ?
O2 Na1 C4 104.22(19) . . ?
O1 Na1 C4 148.43(19) . . ?
C13 Na1 C4 108.21(17) . . ?
C1 Na1 C4 46.83(16) . . ?
C2 Na1 C4 48.04(17) . . ?
N1 Na1 C4 28.52(13) . . ?
O2 Na1 C3 84.40(19) . . ?
O1 Na1 C3 130.1(2) . . ?
C13 Na1 C3 136.96(18) . . ?
C1 Na1 C3 47.55(18) . . ?
C2 Na1 C3 29.71(18) . . ?
N1 Na1 C3 47.87(15) . . ?
C4 Na1 C3 28.87(15) . . ?
O2 Na1 C14 91.32(19) . . ?
O1 Na1 C14 99.95(19) . . ?
C13 Na1 C14 29.90(17) . . ?
C1 Na1 C14 136.57(18) . . ?
C2 Na1 C14 155.58(19) . . ?
N1 Na1 C14 110.41(16) . . ?
C4 Na1 C14 107.60(18) . . ?
C3 Na1 C14 129.6(2) . . ?
O2 Na1 C12 133.53(19) . . ?
O1 Na1 C12 108.39(19) . . ?
C13 Na1 C12 26.63(15) . . ?
C1 Na1 C12 92.80(17) . . ?
C2 Na1 C12 118.73(17) . . ?
N1 Na1 C12 70.69(14) . . ?
C4 Na1 C12 82.15(15) . . ?
C3 Na1 C12 111.01(16) . . ?
C14 Na1 C12 44.51(15) . . ?
C14 Na2 C13 30.87(17) . . ?
C14 Na2 C4 163.3(2) . 4_566 ?
C13 Na2 C4 164.6(2) . 4_566 ?
C14 Na2 C3 164.1(2) . 4_566 ?
C13 Na2 C3 139.6(2) . 4_566 ?
C4 Na2 C3 29.84(16) 4_566 4_566 ?
C14 Na2 N1 146.4(2) . 4_566 ?
C13 Na2 N1 140.8(2) . 4_566 ?
C4 Na2 N1 29.28(14) 4_566 4_566 ?
C3 Na2 N1 49.08(16) 4_566 4_566 ?
C14 Na2 C15 29.39(17) . . ?
C13 Na2 C15 48.46(18) . . ?
C4 Na2 C15 145.5(2) 4_566 . ?
C3 Na2 C15 138.3(2) 4_566 . ?
N1 Na2 C15 162.97(19) 4_566 . ?
C14 Na2 C1 140.6(2) . 4_566 ?
C13 Na2 C1 118.0(2) . 4_566 ?
C4 Na2 C1 47.55(16) 4_566 4_566 ?
C3 Na2 C1 48.16(18) 4_566 4_566 ?
N1 Na2 C1 28.96(14) 4_566 4_566 ?
C15 Na2 C1 166.3(2) . 4_566 ?
C14 Na2 C2 147.2(2) . 4_566 ?
C13 Na2 C2 116.4(2) . 4_566 ?
C4 Na2 C2 48.77(17) 4_566 4_566 ?
C3 Na2 C2 30.06(18) 4_566 4_566 ?
N1 Na2 C2 48.60(15) 4_566 4_566 ?
C15 Na2 C2 147.4(2) . 4_566 ?
C1 Na2 C2 28.74(16) 4_566 4_566 ?
C14 Na2 C12 48.57(17) . . ?
C13 Na2 C12 29.22(15) . . ?
C4 Na2 C12 146.50(19) 4_566 . ?
C3 Na2 C12 116.79(19) 4_566 . ?
N1 Na2 C12 150.26(18) 4_566 . ?
C15 Na2 C12 46.40(16) . . ?
C1 Na2 C12 121.33(19) 4_566 . ?
C2 Na2 C12 104.87(18) 4_566 . ?
C14 Na2 N3 48.19(16) . . ?
C13 Na2 N3 47.77(15) . . ?
C4 Na2 N3 138.45(19) 4_566 . ?
C3 Na2 N3 116.24(19) 4_566 . ?
N1 Na2 N3 165.30(18) 4_566 . ?
C15 Na2 N3 28.22(15) . . ?
C1 Na2 N3 143.95(19) 4_566 . ?
C2 Na2 N3 119.23(18) 4_566 . ?
C12 Na2 N3 27.65(13) . . ?
C14 Na2 Zn1 113.75(16) . 4_566 ?
C13 Na2 Zn1 128.59(16) . 4_566 ?
C4 Na2 Zn1 53.61(12) 4_566 4_566 ?
C3 Na2 Zn1 81.95(13) 4_566 4_566 ?
N1 Na2 Zn1 37.05(10) 4_566 4_566 ?
C15 Na2 Zn1 127.03(15) . 4_566 ?
C1 Na2 Zn1 61.15(13) 4_566 4_566 ?
C2 Na2 Zn1 85.42(13) 4_566 4_566 ?
C12 Na2 Zn1 157.79(15) . 4_566 ?
N3 Na2 Zn1 154.78(13) . 4_566 ?
C31 Na3 C43 137.0(2) . 4_565 ?
C31 Na3 C42 124.1(2) . 4_565 ?
C43 Na3 C42 29.8(2) 4_565 4_565 ?
C31 Na3 N5 30.15(16) . . ?
C43 Na3 N5 131.3(2) 4_565 . ?
C42 Na3 N5 138.91(19) 4_565 . ?
C31 Na3 N7 133.2(2) . 4_565 ?
C43 Na3 N7 48.5(2) 4_565 4_565 ?
C42 Na3 N7 28.71(17) 4_565 4_565 ?
N5 Na3 N7 161.19(19) . 4_565 ?
C31 Na3 C44 166.3(2) . 4_565 ?
C43 Na3 C44 30.1(2) 4_565 4_565 ?
C42 Na3 C44 48.5(2) 4_565 4_565 ?
N5 Na3 C44 144.6(2) . 4_565 ?
N7 Na3 C44 47.77(19) 4_565 4_565 ?
C31 Na3 C32 28.52(19) . . ?
C43 Na3 C32 109.4(2) 4_565 . ?
C42 Na3 C32 96.8(2) 4_565 . ?
N5 Na3 C32 47.71(16) . . ?
N7 Na3 C32 113.50(19) 4_565 . ?
C44 Na3 C32 139.4(2) 4_565 . ?
C31 Na3 C45 159.0(2) . 4_565 ?
C43 Na3 C45 47.84(19) 4_565 4_565 ?
C42 Na3 C45 46.78(19) 4_565 4_565 ?
N5 Na3 C45 170.3(2) . 4_565 ?
N7 Na3 C45 28.12(16) 4_565 4_565 ?
C44 Na3 C45 28.53(18) 4_565 4_565 ?
C32 Na3 C45 141.2(2) . 4_565 ?
C31 Na3 C34 46.80(18) . . ?
C43 Na3 C34 103.6(2) 4_565 . ?
C42 Na3 C34 114.78(19) 4_565 . ?
N5 Na3 C34 27.80(14) . . ?
N7 Na3 C34 143.12(18) 4_565 . ?
C44 Na3 C34 122.3(2) 4_565 . ?
C32 Na3 C34 45.92(18) . . ?
C45 Na3 C34 150.0(2) 4_565 . ?
C31 Na3 C33 45.9(2) . . ?
C43 Na3 C33 92.9(2) 4_565 . ?
C42 Na3 C33 93.4(2) 4_565 . ?
N5 Na3 C33 45.55(16) . . ?
N7 Na3 C33 119.30(18) 4_565 . ?
C44 Na3 C33 120.4(2) 4_565 . ?
C32 Na3 C33 27.83(19) . . ?
C45 Na3 C33 138.66(19) 4_565 . ?
C34 Na3 C33 26.65(16) . . ?
O3 Na4 O4 93.1(2) . . ?
O3 Na4 C44 116.5(2) . . ?
O4 Na4 C44 86.2(2) . . ?
O3 Na4 C31 124.9(2) . . ?
O4 Na4 C31 85.3(2) . . ?
C44 Na4 C31 118.2(2) . . ?
O3 Na4 N5 135.5(2) . . ?
O4 Na4 N5 109.4(2) . . ?
C44 Na4 N5 103.21(19) . . ?
C31 Na4 N5 28.84(16) . . ?
O3 Na4 C32 96.7(2) . . ?
O4 Na4 C32 90.1(2) . . ?
C44 Na4 C32 146.7(2) . . ?
C31 Na4 C32 28.50(19) . . ?
N5 Na4 C32 47.42(17) . . ?
O3 Na4 C43 91.3(2) . . ?
O4 Na4 C43 103.4(3) . . ?
C44 Na4 C43 29.6(2) . . ?
C31 Na4 C43 142.6(2) . . ?
N5 Na4 C43 118.4(2) . . ?
C32 Na4 C43 164.0(2) . . ?
O3 Na4 C34 110.2(2) . . ?
O4 Na4 C34 132.0(2) . . ?
C44 Na4 C34 116.3(2) . . ?
C31 Na4 C34 46.87(18) . . ?
N5 Na4 C34 28.22(14) . . ?
C32 Na4 C34 47.31(18) . . ?
C43 Na4 C34 116.8(2) . . ?
O3 Na4 C33 88.4(2) . . ?
O4 Na4 C33 118.8(2) . . ?
C44 Na4 C33 144.6(2) . . ?
C31 Na4 C33 47.5(2) . . ?
N5 Na4 C33 47.17(17) . . ?
C32 Na4 C33 29.5(2) . . ?
C43 Na4 C33 137.7(3) . . ?
C34 Na4 C33 28.34(17) . . ?
O3 Na4 C45 137.3(2) . . ?
O4 Na4 C45 102.7(2) . . ?
C44 Na4 C45 28.68(18) . . ?
C31 Na4 C45 96.01(19) . . ?
N5 Na4 C45 75.65(17) . . ?
C32 Na4 C45 122.3(2) . . ?
C43 Na4 C45 46.65(19) . . ?
C34 Na4 C45 88.04(18) . . ?
C33 Na4 C45 116.4(2) . . ?
O3 Na4 C42 95.5(2) . . ?
O4 Na4 C42 130.0(2) . . ?
C44 Na4 C42 46.3(2) . . ?
C31 Na4 C42 126.5(2) . . ?
N5 Na4 C42 98.00(19) . . ?
C32 Na4 C42 137.2(2) . . ?
C43 Na4 C42 27.5(2) . . ?
C34 Na4 C42 90.0(2) . . ?
C33 Na4 C42 110.5(2) . . ?
C45 Na4 C42 44.59(18) . . ?
O3 Na4 N7 120.4(2) . . ?
O4 Na4 N7 129.1(2) . . ?
C44 Na4 N7 45.89(18) . . ?
C31 Na4 N7 101.47(18) . . ?
N5 Na4 N7 74.06(15) . . ?
C32 Na4 N7 119.25(19) . . ?
C43 Na4 N7 45.08(19) . . ?
C34 Na4 N7 74.06(16) . . ?
C33 Na4 N7 100.61(19) . . ?
C45 Na4 N7 26.90(15) . . ?
C42 Na4 N7 26.32(15) . . ?
C26 O1 C23 107.7(6) . . ?
C26 O1 Na1 123.3(4) . . ?
C23 O1 Na1 128.4(5) . . ?
C57 O4 C60 108.6(8) . . ?
C57 O4 Na4 121.2(6) . . ?
C60 O4 Na4 123.4(6) . . ?
C4 N1 C1 106.5(4) . . ?
C4 N1 Zn1 109.9(3) . . ?
C1 N1 Zn1 136.4(4) . . ?
C4 N1 Na2 73.6(3) . 4_565 ?
C1 N1 Na2 76.9(3) . 4_565 ?
Zn1 N1 Na2 91.06(16) . 4_565 ?
C4 N1 Na1 76.1(3) . . ?
C1 N1 Na1 74.5(3) . . ?
Zn1 N1 Na1 137.2(2) . . ?
Na2 N1 Na1 129.71(18) 4_565 . ?
C5 N2 C6 112.0(4) . . ?
C5 N2 Zn1 108.9(3) . . ?
C6 N2 Zn1 118.0(4) . . ?
C5 N2 Zn2 111.7(3) . . ?
C6 N2 Zn2 117.9(3) . . ?
Zn1 N2 Zn2 85.66(16) . . ?
C12 N3 C15 106.5(5) . . ?
C12 N3 Zn2 112.3(3) . . ?
C15 N3 Zn2 140.9(4) . . ?
C12 N3 Na2 74.1(3) . . ?
C15 N3 Na2 70.5(3) . . ?
Zn2 N3 Na2 124.2(2) . . ?
C16 N4 C17 111.6(4) . . ?
C16 N4 Zn1 110.9(3) . . ?
C17 N4 Zn1 115.9(3) . . ?
C16 N4 Zn2 110.2(3) . . ?
C17 N4 Zn2 119.1(3) . . ?
Zn1 N4 Zn2 87.00(16) . . ?
C34 N5 C31 107.9(5) . . ?
C34 N5 Zn3 110.1(4) . . ?
C31 N5 Zn3 137.1(4) . . ?
C34 N5 Na3 86.2(3) . . ?
C31 N5 Na3 72.9(3) . . ?
Zn3 N5 Na3 90.47(18) . . ?
C34 N5 Na4 77.6(3) . . ?
C31 N5 Na4 74.7(3) . . ?
Zn3 N5 Na4 132.6(2) . . ?
Na3 N5 Na4 136.90(19) . . ?
C35 N6 C36 110.7(5) . . ?
C35 N6 Zn4 110.4(4) . . ?
C36 N6 Zn4 117.6(4) . . ?
C35 N6 Zn3 110.7(3) . . ?
C36 N6 Zn3 119.2(4) . . ?
Zn4 N6 Zn3 85.98(17) . . ?
C42 N7 C45 107.7(6) . . ?
C42 N7 Zn4 140.0(5) . . ?
C45 N7 Zn4 110.7(4) . . ?
C42 N7 Na3 71.3(3) . 4_566 ?
C45 N7 Na3 79.2(3) . 4_566 ?
Zn4 N7 Na3 105.2(2) . 4_566 ?
C42 N7 Na4 74.1(4) . . ?
C45 N7 Na4 70.7(3) . . ?
Zn4 N7 Na4 129.5(2) . . ?
Na3 N7 Na4 123.7(2) 4_566 . ?
C46 N8 C47 110.8(5) . . ?
C46 N8 Zn3 111.1(4) . . ?
C47 N8 Zn3 118.0(3) . . ?
C46 N8 Zn4 110.6(3) . . ?
C47 N8 Zn4 118.1(4) . . ?
Zn3 N8 Zn4 86.15(17) . . ?
N1 C1 C2 111.2(5) . . ?
N1 C1 Na1 76.7(3) . . ?
C2 C1 Na1 76.6(3) . . ?
N1 C1 Na2 74.1(3) . 4_565 ?
C2 C1 Na2 76.7(3) . 4_565 ?
Na1 C1 Na2 129.4(2) . 4_565 ?
N1 C1 H1 124.4 . . ?
C2 C1 H1 124.4 . . ?
Na1 C1 H1 114.1 . . ?
Na2 C1 H1 116.5 4_565 . ?
C1 C2 C3 105.6(5) . . ?
C1 C2 Na1 74.4(3) . . ?
C3 C2 Na1 76.2(3) . . ?
C1 C2 Na2 74.6(3) . 4_565 ?
C3 C2 Na2 72.3(3) . 4_565 ?
Na1 C2 Na2 127.1(2) . 4_565 ?
C1 C2 H2 127.2 . . ?
C3 C2 H2 127.2 . . ?
Na1 C2 H2 114.7 . . ?
Na2 C2 H2 118.1 4_565 . ?
C4 C3 C2 106.5(5) . . ?
C4 C3 Na2 73.7(3) . 4_565 ?
C2 C3 Na2 77.6(3) . 4_565 ?
C4 C3 Na1 74.8(3) . . ?
C2 C3 Na1 74.1(3) . . ?
Na2 C3 Na1 128.8(2) 4_565 . ?
C4 C3 H3 126.7 . . ?
C2 C3 H3 126.7 . . ?
Na2 C3 H3 114.4 4_565 . ?
Na1 C3 H3 116.7 . . ?
N1 C4 C3 110.1(5) . . ?
N1 C4 C5 118.4(4) . . ?
C3 C4 C5 131.6(5) . . ?
N1 C4 Na2 77.1(3) . 4_565 ?
C3 C4 Na2 76.5(3) . 4_565 ?
C5 C4 Na2 113.5(3) . 4_565 ?
N1 C4 Na1 75.4(3) . . ?
C3 C4 Na1 76.3(3) . . ?
C5 C4 Na1 114.8(3) . . ?
Na2 C4 Na1 131.3(2) 4_565 . ?
N2 C5 C4 113.3(4) . . ?
N2 C5 H5A 108.9 . . ?
C4 C5 H5A 108.9 . . ?
N2 C5 H5B 108.9 . . ?
C4 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
C9 C6 N2 109.2(5) . . ?
C9 C6 C7 107.3(6) . . ?
N2 C6 C7 111.5(5) . . ?
C9 C6 C8 107.0(6) . . ?
N2 C6 C8 110.5(5) . . ?
C7 C6 C8 111.1(6) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 Zn1 115.2(5) . . ?
C11 C10 H10A 108.5 . . ?
Zn1 C10 H10A 108.5 . . ?
C11 C10 H10B 108.5 . . ?
Zn1 C10 H10B 108.5 . . ?
H10A C10 H10B 107.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N3 C12 C13 109.8(5) . . ?
N3 C12 C16 120.0(5) . . ?
C13 C12 C16 130.2(5) . . ?
N3 C12 Na2 78.3(3) . . ?
C13 C12 Na2 69.5(3) . . ?
C16 C12 Na2 118.9(3) . . ?
N3 C12 Na1 95.9(3) . . ?
C13 C12 Na1 57.7(3) . . ?
C16 C12 Na1 114.3(3) . . ?
Na2 C12 Na1 121.25(19) . . ?
C12 C13 C14 106.6(5) . . ?
C12 C13 Na1 95.6(3) . . ?
C14 C13 Na1 82.2(3) . . ?
C12 C13 Na2 81.3(3) . . ?
C14 C13 Na2 73.2(3) . . ?
Na1 C13 Na2 153.0(3) . . ?
C12 C13 H13 126.7 . . ?
C14 C13 H13 126.7 . . ?
Na1 C13 H13 91.8 . . ?
Na2 C13 H13 111.7 . . ?
C15 C14 C13 106.1(5) . . ?
C15 C14 Na2 79.4(3) . . ?
C13 C14 Na2 76.0(3) . . ?
C15 C14 Na1 99.9(4) . . ?
C13 C14 Na1 67.9(3) . . ?
Na2 C14 Na1 142.2(2) . . ?
C15 C14 H14 127.0 . . ?
C13 C14 H14 127.0 . . ?
Na2 C14 H14 110.7 . . ?
Na1 C14 H14 99.8 . . ?
C14 C15 N3 111.0(5) . . ?
C14 C15 Na2 71.2(3) . . ?
N3 C15 Na2 81.2(3) . . ?
C14 C15 H15 124.0 . . ?
N3 C15 H15 124.0 . . ?
Na2 C15 H15 124.0 . . ?
N4 C16 C12 113.7(4) . . ?
N4 C16 H16A 108.8 . . ?
C12 C16 H16A 108.8 . . ?
N4 C16 H16B 108.8 . . ?
C12 C16 H16B 108.8 . . ?
H16A C16 H16B 107.7 . . ?
N4 C17 C18 111.6(5) . . ?
N4 C17 C20 111.4(5) . . ?
C18 C17 C20 110.5(5) . . ?
N4 C17 C19 108.9(5) . . ?
C18 C17 C19 107.1(5) . . ?
C20 C17 C19 107.1(5) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 Zn2 117.2(5) . . ?
C22 C21 H21A 108.0 . . ?
Zn2 C21 H21A 108.0 . . ?
C22 C21 H21B 108.0 . . ?
Zn2 C21 H21B 108.0 . . ?
H21A C21 H21B 107.2 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O1 C23 C24 108.0(7) . . ?
O1 C23 H23A 110.1 . . ?
C24 C23 H23A 110.1 . . ?
O1 C23 H23B 110.1 . . ?
C24 C23 H23B 110.1 . . ?
H23A C23 H23B 108.4 . . ?
C25 C24 C23 105.9(8) . . ?
C25 C24 H24A 110.5 . . ?
C23 C24 H24A 110.5 . . ?
C25 C24 H24B 110.5 . . ?
C23 C24 H24B 110.5 . . ?
H24A C24 H24B 108.7 . . ?
C24 C25 C26 107.9(8) . . ?
C24 C25 H25A 110.1 . . ?
C26 C25 H25A 110.1 . . ?
C24 C25 H25B 110.1 . . ?
C26 C25 H25B 110.1 . . ?
H25A C25 H25B 108.4 . . ?
O1 C26 C25 105.1(7) . . ?
O1 C26 H26A 110.7 . . ?
C25 C26 H26A 110.7 . . ?
O1 C26 H26B 110.7 . . ?
C25 C26 H26B 110.7 . . ?
H26A C26 H26B 108.8 . . ?
C32 C31 N5 109.5(6) . . ?
C32 C31 Na3 85.2(4) . . ?
N5 C31 Na3 77.0(3) . . ?
C32 C31 Na4 77.4(4) . . ?
N5 C31 Na4 76.5(3) . . ?
Na3 C31 Na4 141.1(3) . . ?
C32 C31 H31 125.3 . . ?
N5 C31 H31 125.3 . . ?
Na3 C31 H31 105.5 . . ?
Na4 C31 H31 113.0 . . ?
C31 C32 C33 106.8(6) . . ?
C31 C32 Na4 74.1(4) . . ?
C33 C32 Na4 76.3(4) . . ?
C31 C32 Na3 66.3(4) . . ?
C33 C32 Na3 83.7(4) . . ?
Na4 C32 Na3 127.6(2) . . ?
C31 C32 H32 126.6 . . ?
C33 C32 H32 126.6 . . ?
Na4 C32 H32 115.4 . . ?
Na3 C32 H32 115.5 . . ?
C34 C33 C32 106.4(5) . . ?
C34 C33 Na4 75.6(4) . . ?
C32 C33 Na4 74.2(4) . . ?
C34 C33 Na3 71.5(4) . . ?
C32 C33 Na3 68.5(4) . . ?
Na4 C33 Na3 119.3(2) . . ?
C34 C33 H33 126.8 . . ?
C32 C33 H33 126.8 . . ?
Na4 C33 H33 115.8 . . ?
Na3 C33 H33 124.8 . . ?
N5 C34 C33 109.4(5) . . ?
N5 C34 C35 119.6(5) . . ?
C33 C34 C35 131.0(5) . . ?
N5 C34 Na4 74.2(3) . . ?
C33 C34 Na4 76.0(4) . . ?
C35 C34 Na4 114.9(4) . . ?
N5 C34 Na3 66.0(3) . . ?
C33 C34 Na3 81.9(4) . . ?
C35 C34 Na3 118.4(4) . . ?
Na4 C34 Na3 124.1(2) . . ?
N6 C35 C34 113.5(5) . . ?
N6 C35 H35A 108.9 . . ?
C34 C35 H35A 108.9 . . ?
N6 C35 H35B 108.9 . . ?
C34 C35 H35B 108.9 . . ?
H35A C35 H35B 107.7 . . ?
N6 C36 C39 110.2(5) . . ?
N6 C36 C37 107.7(5) . . ?
C39 C36 C37 108.3(6) . . ?
N6 C36 C38 110.7(6) . . ?
C39 C36 C38 111.2(6) . . ?
C37 C36 C38 108.5(6) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 Zn3 123.7(4) . . ?
C41 C40 H40A 106.4 . . ?
Zn3 C40 H40A 106.4 . . ?
C41 C40 H40B 106.4 . . ?
Zn3 C40 H40B 106.4 . . ?
H40A C40 H40B 106.5 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
N7 C42 C43 110.2(6) . . ?
N7 C42 Na3 80.0(4) . 4_566 ?
C43 C42 Na3 74.8(4) . 4_566 ?
N7 C42 Na4 79.5(4) . . ?
C43 C42 Na4 71.0(4) . . ?
Na3 C42 Na4 130.6(3) 4_566 . ?
N7 C42 H42 124.9 . . ?
C43 C42 H42 124.9 . . ?
Na3 C42 H42 112.3 4_566 . ?
Na4 C42 H42 116.3 . . ?
C42 C43 C44 107.0(6) . . ?
C42 C43 Na3 75.4(4) . 4_566 ?
C44 C43 Na3 80.1(4) . 4_566 ?
C42 C43 Na4 81.5(4) . . ?
C44 C43 Na4 73.0(4) . . ?
Na3 C43 Na4 137.2(3) 4_566 . ?
C42 C43 H43 126.5 . . ?
C44 C43 H43 126.5 . . ?
Na3 C43 H43 110.9 4_566 . ?
Na4 C43 H43 111.8 . . ?
C45 C44 C43 105.8(7) . . ?
C45 C44 Na4 80.0(4) . . ?
C43 C44 Na4 77.4(4) . . ?
C45 C44 Na3 78.2(4) . 4_566 ?
C43 C44 Na3 69.8(4) . 4_566 ?
Na4 C44 Na3 133.5(3) . 4_566 ?
C45 C44 H44 127.1 . . ?
C43 C44 H44 127.1 . . ?
Na4 C44 H44 108.9 . . ?
Na3 C44 H44 117.0 4_566 . ?
N7 C45 C44 109.3(6) . . ?
N7 C45 C46 120.8(6) . . ?
C44 C45 C46 129.9(6) . . ?
N7 C45 Na3 72.6(3) . 4_566 ?
C44 C45 Na3 73.2(4) . 4_566 ?
C46 C45 Na3 121.2(4) . 4_566 ?
N7 C45 Na4 82.4(3) . . ?
C44 C45 Na4 71.4(3) . . ?
C46 C45 Na4 112.7(4) . . ?
Na3 C45 Na4 126.1(2) 4_566 . ?
N8 C46 C45 113.1(5) . . ?
N8 C46 H46A 109.0 . . ?
C45 C46 H46A 109.0 . . ?
N8 C46 H46B 109.0 . . ?
C45 C46 H46B 109.0 . . ?
H46A C46 H46B 107.8 . . ?
N8 C47 C48 111.9(5) . . ?
N8 C47 C50 108.1(5) . . ?
C48 C47 C50 107.7(5) . . ?
N8 C47 C49 112.1(5) . . ?
C48 C47 C49 109.7(6) . . ?
C50 C47 C49 107.0(6) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C47 C50 H50A 109.5 . . ?
C47 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C47 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C52A C51 Zn4 118.2(9) . . ?
C52A C51 H51A 107.8 . . ?
Zn4 C51 H51A 107.8 . . ?
C52A C51 H51B 107.8 . . ?
Zn4 C51 H51B 107.8 . . ?
H51A C51 H51B 107.1 . . ?
C51 C52A H52A 109.5 . . ?
C51 C52A H52B 109.5 . . ?
H52A C52A H52B 109.5 . . ?
C51 C52A H52C 109.5 . . ?
H52A C52A H52C 109.5 . . ?
H52B C52A H52C 109.5 . . ?
O4 C57 C58 105.9(10) . . ?
O4 C57 H57A 110.5 . . ?
C58 C57 H57A 110.5 . . ?
O4 C57 H57B 110.5 . . ?
C58 C57 H57B 110.5 . . ?
H57A C57 H57B 108.7 . . ?
C59 C58 C57 109.5(10) . . ?
C59 C58 H58A 109.8 . . ?
C57 C58 H58A 109.8 . . ?
C59 C58 H58B 109.8 . . ?
C57 C58 H58B 109.8 . . ?
H58A C58 H58B 108.2 . . ?
C58 C59 C60 106.9(11) . . ?
C58 C59 H59A 110.3 . . ?
C60 C59 H59A 110.3 . . ?
C58 C59 H59B 110.3 . . ?
C60 C59 H59B 110.3 . . ?
H59A C59 H59B 108.6 . . ?
C59 C60 O4 108.1(9) . . ?
C59 C60 H60A 110.1 . . ?
O4 C60 H60A 110.1 . . ?
C59 C60 H60B 110.1 . . ?
O4 C60 H60B 110.1 . . ?
H60A C60 H60B 108.4 . . ?

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
C30A O2 C27A C28A -26(3) . . . . ?
Na1 O2 C27A C28A 163.3(12) . . . . ?
O2 C27A C28A C29A -6(3) . . . . ?
C27A C28A C29A C30A 33(2) . . . . ?
C27A O2 C30A C29A 49(2) . . . . ?
Na1 O2 C30A C29A -137.5(13) . . . . ?
C28A C29A C30A O2 -49(2) . . . . ?
C30B O2 C27B C28B -36(3) . . . . ?
Na1 O2 C27B C28B -168.6(16) . . . . ?
O2 C27B C28B C29B 47(3) . . . . ?
C27B C28B C29B C30B -41(3) . . . . ?
C27B O2 C30B C29B 7(2) . . . . ?
Na1 O2 C30B C29B 143.3(15) . . . . ?
C28B C29B C30B O2 22(3) . . . . ?
C56A O3 C53A C54A -24(2) . . . . ?
Na4 O3 C53A C54A 172.7(13) . . . . ?
O3 C53A C54A C55A 41(2) . . . . ?
C53A C54A C55A C56A -42(2) . . . . ?
C53A O3 C56A C55A -6(2) . . . . ?
Na4 O3 C56A C55A 154.4(11) . . . . ?
C54A C55A C56A O3 30(2) . . . . ?
C56B O3 C53B C54B -20(3) . . . . ?
Na4 O3 C53B C54B 144.5(19) . . . . ?
O3 C53B C54B C55B 52(3) . . . . ?
C53B C54B C55B C56B -68(3) . . . . ?
C54B C55B C56B O3 61(2) . . . . ?
C53B O3 C56B C55B -37(3) . . . . ?
Na4 O3 C56B C55B 158(2) . . . . ?
C4 N1 C1 C2 -0.2(6) . . . . ?
Zn1 N1 C1 C2 -145.9(4) . . . . ?
Na2 N1 C1 C2 -68.4(4) 4_565 . . . ?
Na1 N1 C1 C2 69.7(4) . . . . ?
C4 N1 C1 Na1 -69.9(3) . . . . ?
Zn1 N1 C1 Na1 144.3(4) . . . . ?
Na2 N1 C1 Na1 -138.17(17) 4_565 . . . ?
C4 N1 C1 Na2 68.2(3) . . . 4_565 ?
Zn1 N1 C1 Na2 -77.5(5) . . . 4_565 ?
Na1 N1 C1 Na2 138.17(17) . . . 4_565 ?
N1 C1 C2 C3 0.7(6) . . . . ?
Na1 C1 C2 C3 70.5(4) . . . . ?
Na2 C1 C2 C3 -66.1(4) 4_565 . . . ?
N1 C1 C2 Na1 -69.8(4) . . . . ?
Na2 C1 C2 Na1 -136.59(18) 4_565 . . . ?
N1 C1 C2 Na2 66.8(4) . . . 4_565 ?
Na1 C1 C2 Na2 136.59(18) . . . 4_565 ?
C1 C2 C3 C4 -0.9(6) . . . . ?
Na1 C2 C3 C4 68.3(4) . . . . ?
Na2 C2 C3 C4 -68.6(4) 4_565 . . . ?
C1 C2 C3 Na2 67.7(4) . . . 4_565 ?
Na1 C2 C3 Na2 136.92(17) . . . 4_565 ?
C1 C2 C3 Na1 -69.2(4) . . . . ?
Na2 C2 C3 Na1 -136.92(17) 4_565 . . . ?
C1 N1 C4 C3 -0.4(6) . . . . ?
Zn1 N1 C4 C3 155.2(4) . . . . ?
Na2 N1 C4 C3 70.2(4) 4_565 . . . ?
Na1 N1 C4 C3 -69.2(4) . . . . ?
C1 N1 C4 C5 179.5(5) . . . . ?
Zn1 N1 C4 C5 -24.9(5) . . . . ?
Na2 N1 C4 C5 -110.0(5) 4_565 . . . ?
Na1 N1 C4 C5 110.6(4) . . . . ?
C1 N1 C4 Na2 -70.6(4) . . . 4_565 ?
Zn1 N1 C4 Na2 85.1(2) . . . 4_565 ?
Na1 N1 C4 Na2 -139.37(16) . . . 4_565 ?
C1 N1 C4 Na1 68.8(3) . . . . ?
Zn1 N1 C4 Na1 -135.6(2) . . . . ?
Na2 N1 C4 Na1 139.37(16) 4_565 . . . ?
C2 C3 C4 N1 0.8(6) . . . . ?
Na2 C3 C4 N1 -70.6(4) 4_565 . . . ?
Na1 C3 C4 N1 68.6(4) . . . . ?
C2 C3 C4 C5 -179.0(5) . . . . ?
Na2 C3 C4 C5 109.6(6) 4_565 . . . ?
Na1 C3 C4 C5 -111.2(6) . . . . ?
C2 C3 C4 Na2 71.4(4) . . . 4_565 ?
Na1 C3 C4 Na2 139.18(19) . . . 4_565 ?
C2 C3 C4 Na1 -67.8(4) . . . . ?
Na2 C3 C4 Na1 -139.18(19) 4_565 . . . ?
C6 N2 C5 C4 119.5(5) . . . . ?
Zn1 N2 C5 C4 -12.9(5) . . . . ?
Zn2 N2 C5 C4 -105.8(4) . . . . ?
N1 C4 C5 N2 26.3(7) . . . . ?
C3 C4 C5 N2 -153.9(5) . . . . ?
Na2 C4 C5 N2 -61.3(5) 4_565 . . . ?
Na1 C4 C5 N2 112.6(4) . . . . ?
C5 N2 C6 C9 -179.5(5) . . . . ?
Zn1 N2 C6 C9 -51.8(6) . . . . ?
Zn2 N2 C6 C9 48.8(6) . . . . ?
C5 N2 C6 C7 -61.1(7) . . . . ?
Zn1 N2 C6 C7 66.6(6) . . . . ?
Zn2 N2 C6 C7 167.2(4) . . . . ?
C5 N2 C6 C8 63.0(6) . . . . ?
Zn1 N2 C6 C8 -169.3(4) . . . . ?
Zn2 N2 C6 C8 -68.7(6) . . . . ?
C15 N3 C12 C13 -0.6(6) . . . . ?
Zn2 N3 C12 C13 -176.0(3) . . . . ?
Na2 N3 C12 C13 63.0(4) . . . . ?
C15 N3 C12 C16 179.8(5) . . . . ?
Zn2 N3 C12 C16 4.3(6) . . . . ?
Na2 N3 C12 C16 -116.7(5) . . . . ?
C15 N3 C12 Na2 -63.5(4) . . . . ?
Zn2 N3 C12 Na2 121.0(3) . . . . ?
C15 N3 C12 Na1 57.2(4) . . . . ?
Zn2 N3 C12 Na1 -118.2(2) . . . . ?
Na2 N3 C12 Na1 120.75(18) . . . . ?
N3 C12 C13 C14 0.8(6) . . . . ?
C16 C12 C13 C14 -179.6(5) . . . . ?
Na2 C12 C13 C14 69.4(4) . . . . ?
Na1 C12 C13 C14 -83.5(4) . . . . ?
N3 C12 C13 Na1 84.4(4) . . . . ?
C16 C12 C13 Na1 -96.0(5) . . . . ?
Na2 C12 C13 Na1 152.9(3) . . . . ?
N3 C12 C13 Na2 -68.6(4) . . . . ?
C16 C12 C13 Na2 111.0(5) . . . . ?
Na1 C12 C13 Na2 -152.9(3) . . . . ?
C12 C13 C14 C15 -0.7(6) . . . . ?
Na1 C13 C14 C15 -94.3(4) . . . . ?
Na2 C13 C14 C15 74.4(4) . . . . ?
C12 C13 C14 Na2 -75.2(4) . . . . ?
Na1 C13 C14 Na2 -168.8(2) . . . . ?
C12 C13 C14 Na1 93.6(4) . . . . ?
Na2 C13 C14 Na1 168.8(2) . . . . ?
C13 C14 C15 N3 0.4(6) . . . . ?
Na2 C14 C15 N3 72.3(4) . . . . ?
Na1 C14 C15 N3 -69.2(5) . . . . ?
C13 C14 C15 Na2 -71.9(4) . . . . ?
Na1 C14 C15 Na2 -141.6(2) . . . . ?
C12 N3 C15 C14 0.1(6) . . . . ?
Zn2 N3 C15 C14 173.4(4) . . . . ?
Na2 N3 C15 C14 -65.9(4) . . . . ?
C12 N3 C15 Na2 65.9(4) . . . . ?
Zn2 N3 C15 Na2 -120.8(5) . . . . ?
C17 N4 C16 C12 143.7(5) . . . . ?
Zn1 N4 C16 C12 -85.5(5) . . . . ?
Zn2 N4 C16 C12 9.1(5) . . . . ?
N3 C12 C16 N4 -9.4(7) . . . . ?
C13 C12 C16 N4 171.0(5) . . . . ?
Na2 C12 C16 N4 -102.2(5) . . . . ?
Na1 C12 C16 N4 103.7(4) . . . . ?
C16 N4 C17 C18 59.4(6) . . . . ?
Zn1 N4 C17 C18 -68.8(5) . . . . ?
Zn2 N4 C17 C18 -170.5(4) . . . . ?
C16 N4 C17 C20 -64.6(6) . . . . ?
Zn1 N4 C17 C20 167.2(4) . . . . ?
Zn2 N4 C17 C20 65.4(6) . . . . ?
C16 N4 C17 C19 177.5(5) . . . . ?
Zn1 N4 C17 C19 49.3(6) . . . . ?
Zn2 N4 C17 C19 -52.4(6) . . . . ?
C26 O1 C23 C24 -24.0(10) . . . . ?
Na1 O1 C23 C24 164.7(6) . . . . ?
O1 C23 C24 C25 16.2(11) . . . . ?
C23 C24 C25 C26 -3.0(12) . . . . ?
C23 O1 C26 C25 21.3(10) . . . . ?
Na1 O1 C26 C25 -166.8(5) . . . . ?
C24 C25 C26 O1 -11.3(11) . . . . ?
C34 N5 C31 C32 0.0(7) . . . . ?
Zn3 N5 C31 C32 -151.5(5) . . . . ?
Na3 N5 C31 C32 -80.1(5) . . . . ?
Na4 N5 C31 C32 71.2(5) . . . . ?
C34 N5 C31 Na3 80.1(4) . . . . ?
Zn3 N5 C31 Na3 -71.4(5) . . . . ?
Na4 N5 C31 Na3 151.2(2) . . . . ?
C34 N5 C31 Na4 -71.2(4) . . . . ?
Zn3 N5 C31 Na4 137.4(5) . . . . ?
Na3 N5 C31 Na4 -151.2(2) . . . . ?
N5 C31 C32 C33 -0.6(8) . . . . ?
Na3 C31 C32 C33 -75.0(5) . . . . ?
Na4 C31 C32 C33 69.9(5) . . . . ?
N5 C31 C32 Na4 -70.6(5) . . . . ?
Na3 C31 C32 Na4 -144.9(2) . . . . ?
N5 C31 C32 Na3 74.4(4) . . . . ?
Na4 C31 C32 Na3 144.9(2) . . . . ?
C31 C32 C33 C34 1.0(8) . . . . ?
Na4 C32 C33 C34 69.4(5) . . . . ?
Na3 C32 C33 C34 -61.8(5) . . . . ?
C31 C32 C33 Na4 -68.4(5) . . . . ?
Na3 C32 C33 Na4 -131.22(19) . . . . ?
C31 C32 C33 Na3 62.8(5) . . . . ?
Na4 C32 C33 Na3 131.22(19) . . . . ?
C31 N5 C34 C33 0.6(7) . . . . ?
Zn3 N5 C34 C33 160.4(4) . . . . ?
Na3 N5 C34 C33 71.3(5) . . . . ?
Na4 N5 C34 C33 -68.5(5) . . . . ?
C31 N5 C34 C35 179.2(5) . . . . ?
Zn3 N5 C34 C35 -21.1(6) . . . . ?
Na3 N5 C34 C35 -110.2(5) . . . . ?
Na4 N5 C34 C35 110.0(5) . . . . ?
C31 N5 C34 Na4 69.2(4) . . . . ?
Zn3 N5 C34 Na4 -131.1(3) . . . . ?
Na3 N5 C34 Na4 139.81(17) . . . . ?
C31 N5 C34 Na3 -70.6(4) . . . . ?
Zn3 N5 C34 Na3 89.1(3) . . . . ?
Na4 N5 C34 Na3 -139.81(17) . . . . ?
C32 C33 C34 N5 -1.0(7) . . . . ?
Na4 C33 C34 N5 67.3(4) . . . . ?
Na3 C33 C34 N5 -60.9(4) . . . . ?
C32 C33 C34 C35 -179.3(6) . . . . ?
Na4 C33 C34 C35 -110.9(6) . . . . ?
Na3 C33 C34 C35 120.8(7) . . . . ?
C32 C33 C34 Na4 -68.4(5) . . . . ?
Na3 C33 C34 Na4 -128.25(18) . . . . ?
C32 C33 C34 Na3 59.9(5) . . . . ?
Na4 C33 C34 Na3 128.25(18) . . . . ?
C36 N6 C35 C34 128.3(5) . . . . ?
Zn4 N6 C35 C34 -99.6(5) . . . . ?
Zn3 N6 C35 C34 -6.2(6) . . . . ?
N5 C34 C35 N6 18.9(8) . . . . ?
C33 C34 C35 N6 -162.9(6) . . . . ?
Na4 C34 C35 N6 104.2(5) . . . . ?
Na3 C34 C35 N6 -58.0(5) . . . . ?
C35 N6 C36 C39 -63.4(7) . . . . ?
Zn4 N6 C36 C39 168.3(4) . . . . ?
Zn3 N6 C36 C39 66.7(6) . . . . ?
C35 N6 C36 C37 178.6(5) . . . . ?
Zn4 N6 C36 C37 50.3(6) . . . . ?
Zn3 N6 C36 C37 -51.3(6) . . . . ?
C35 N6 C36 C38 60.0(7) . . . . ?
Zn4 N6 C36 C38 -68.2(6) . . . . ?
Zn3 N6 C36 C38 -169.8(5) . . . . ?
C45 N7 C42 C43 2.0(7) . . . . ?
Zn4 N7 C42 C43 -161.2(5) . . . . ?
Na3 N7 C42 C43 -69.7(5) 4_566 . . . ?
Na4 N7 C42 C43 65.2(5) . . . . ?
C45 N7 C42 Na3 71.6(4) . . . 4_566 ?
Zn4 N7 C42 Na3 -91.6(6) . . . 4_566 ?
Na4 N7 C42 Na3 134.8(2) . . . 4_566 ?
C45 N7 C42 Na4 -63.2(4) . . . . ?
Zn4 N7 C42 Na4 133.6(6) . . . . ?
Na3 N7 C42 Na4 -134.8(2) 4_566 . . . ?
N7 C42 C43 C44 -1.5(7) . . . . ?
Na3 C42 C43 C44 -74.6(4) 4_566 . . . ?
Na4 C42 C43 C44 69.2(4) . . . . ?
N7 C42 C43 Na3 73.1(5) . . . 4_566 ?
Na4 C42 C43 Na3 143.7(2) . . . 4_566 ?
N7 C42 C43 Na4 -70.7(5) . . . . ?
Na3 C42 C43 Na4 -143.7(2) 4_566 . . . ?
C42 C43 C44 C45 0.5(7) . . . . ?
Na3 C43 C44 C45 -70.8(4) 4_566 . . . ?
Na4 C43 C44 C45 75.6(4) . . . . ?
C42 C43 C44 Na4 -75.2(5) . . . . ?
Na3 C43 C44 Na4 -146.4(2) 4_566 . . . ?
C42 C43 C44 Na3 71.2(5) . . . 4_566 ?
Na4 C43 C44 Na3 146.4(3) . . . 4_566 ?
C42 N7 C45 C44 -1.7(7) . . . . ?
Zn4 N7 C45 C44 166.9(4) . . . . ?
Na3 N7 C45 C44 64.5(4) 4_566 . . . ?
Na4 N7 C45 C44 -67.1(4) . . . . ?
C42 N7 C45 C46 177.3(6) . . . . ?
Zn4 N7 C45 C46 -14.1(7) . . . . ?
Na3 N7 C45 C46 -116.5(5) 4_566 . . . ?
Na4 N7 C45 C46 111.9(5) . . . . ?
C42 N7 C45 Na3 -66.2(4) . . . 4_566 ?
Zn4 N7 C45 Na3 102.3(3) . . . 4_566 ?
Na4 N7 C45 Na3 -131.64(18) . . . 4_566 ?
C42 N7 C45 Na4 65.5(4) . . . . ?
Zn4 N7 C45 Na4 -126.0(3) . . . . ?
Na3 N7 C45 Na4 131.64(18) 4_566 . . . ?
C43 C44 C45 N7 0.7(7) . . . . ?
Na4 C44 C45 N7 74.5(4) . . . . ?
Na3 C44 C45 N7 -64.2(4) 4_566 . . . ?
C43 C44 C45 C46 -178.1(6) . . . . ?
Na4 C44 C45 C46 -104.3(6) . . . . ?
Na3 C44 C45 C46 117.0(6) 4_566 . . . ?
C43 C44 C45 Na3 64.9(4) . . . 4_566 ?
Na4 C44 C45 Na3 138.7(2) . . . 4_566 ?
C43 C44 C45 Na4 -73.8(4) . . . . ?
Na3 C44 C45 Na4 -138.7(2) 4_566 . . . ?
C47 N8 C46 C45 134.0(5) . . . . ?
Zn3 N8 C46 C45 -92.8(5) . . . . ?
Zn4 N8 C46 C45 1.1(6) . . . . ?
N7 C45 C46 N8 9.0(8) . . . . ?
C44 C45 C46 N8 -172.3(6) . . . . ?
Na3 C45 C46 N8 -78.5(6) 4_566 . . . ?
Na4 C45 C46 N8 103.6(5) . . . . ?
C46 N8 C47 C48 57.0(6) . . . . ?
Zn3 N8 C47 C48 -72.7(6) . . . . ?
Zn4 N8 C47 C48 -174.1(4) . . . . ?
C46 N8 C47 C50 175.5(5) . . . . ?
Zn3 N8 C47 C50 45.8(6) . . . . ?
Zn4 N8 C47 C50 -55.6(5) . . . . ?
C46 N8 C47 C49 -66.8(7) . . . . ?
Zn3 N8 C47 C49 163.5(5) . . . . ?
Zn4 N8 C47 C49 62.1(7) . . . . ?
C60 O4 C57 C58 -7.4(15) . . . . ?
Na4 O4 C57 C58 144.6(9) . . . . ?
O4 C57 C58 C59 10.2(18) . . . . ?
C57 C58 C59 C60 -8.8(19) . . . . ?
C58 C59 C60 O4 4.0(17) . . . . ?
C57 O4 C60 C59 2.3(15) . . . . ?
Na4 O4 C60 C59 -149.0(9) . . . . ?

_refine_diff_density_max         0.941
_refine_diff_density_min         -0.860
_refine_diff_density_rms         0.086


# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 0.000 0.003 -0.016 1800 307 ' '
_platon_squeeze_details          ?
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 1523787'
_audit_update_record             
;
2016-12-21 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C35 H61 N6 Na2 Zn2'
_chemical_formula_sum            'C35 H61 N6 Na2 Zn2'
_chemical_formula_weight         742.62

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.8441(5)
_cell_length_b                   17.0429(10)
_cell_length_c                   28.1718(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.578(2)
_cell_angle_gamma                90.00
_cell_volume                     4226.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9854
_cell_measurement_theta_min      2.80
_cell_measurement_theta_max      27.42

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.167
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1580
_exptl_absorpt_coefficient_mu    1.184
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7177
_exptl_absorpt_correction_T_max  0.7976
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            29325
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.80
_diffrn_reflns_theta_max         25.04
_reflns_number_total             7434
_reflns_number_gt                6376
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0647P)²+21.0786P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7434
_refine_ls_number_parameters     419
_refine_ls_number_restraints     527
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0623
_refine_ls_wR_factor_ref         0.1605
_refine_ls_wR_factor_gt          0.1560
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.45265(5) 0.34665(2) 0.175152(14) 0.01876(10) Uani 1 1 d U . .
Zn2 Zn 0.28143(5) 0.20791(2) 0.192431(14) 0.01939(10) Uani 1 1 d U . .
Na1 Na 0.63643(18) 0.30802(8) 0.32981(5) 0.0244(3) Uani 1 1 d . . .
Na2 Na 0.5397(2) 0.02292(9) 0.27552(6) 0.0328(4) Uani 1 1 d . . .
N1 N 0.5393(3) 0.37776(17) 0.24509(10) 0.0186(7) Uani 1 1 d . . .
N2 N 0.2511(3) 0.32863(16) 0.20590(10) 0.0165(6) Uani 1 1 d U . .
N3 N 0.4207(4) 0.17662(18) 0.25353(11) 0.0217(7) Uani 1 1 d . . .
N4 N 0.4909(3) 0.22582(16) 0.16431(10) 0.0145(4) Uani 1 1 d U . .
N5 N 0.6087(5) 0.3227(2) 0.41720(13) 0.0469(10) Uani 1 1 d U . .
N6 N 0.9037(4) 0.3152(2) 0.36881(14) 0.0419(10) Uani 1 1 d . . .
C1 C 0.6544(4) 0.4246(2) 0.26559(13) 0.0235(7) Uani 1 1 d U . .
H17 H 0.7501 0.4288 0.2548 0.028 Uiso 1 1 calc R . .
C2 C 0.6088(5) 0.4645(2) 0.30432(14) 0.0260(7) Uani 1 1 d U . .
H7 H 0.6662 0.4995 0.3240 0.031 Uiso 1 1 calc R . .
C3 C 0.4573(4) 0.4415(2) 0.30805(13) 0.0238(7) Uani 1 1 d U . .
H22 H 0.3948 0.4587 0.3306 0.029 Uiso 1 1 calc R . .
C4 C 0.4193(4) 0.3881(2) 0.27143(13) 0.0209(6) Uani 1 1 d U . .
C5 C 0.2737(4) 0.3450(2) 0.25820(13) 0.0213(6) Uani 1 1 d U . .
H18A H 0.2749 0.2958 0.2756 0.026 Uiso 1 1 calc R . .
H18B H 0.1892 0.3760 0.2673 0.026 Uiso 1 1 calc R . .
C6 C 0.1065(4) 0.3667(2) 0.18443(13) 0.0224(7) Uani 1 1 d U . .
C7 C -0.0333(4) 0.3311(2) 0.20466(14) 0.0267(8) Uani 1 1 d U . .
H20A H -0.0358 0.2756 0.1990 0.040 Uiso 1 1 calc R . .
H20B H -0.1238 0.3547 0.1893 0.040 Uiso 1 1 calc R . .
H20C H -0.0278 0.3408 0.2384 0.040 Uiso 1 1 calc R . .
C8 C 0.1074(5) 0.4562(2) 0.19212(15) 0.0270(8) Uani 1 1 d U . .
H21A H 0.1141 0.4673 0.2257 0.040 Uiso 1 1 calc R . .
H21B H 0.0154 0.4783 0.1768 0.040 Uiso 1 1 calc R . .
H21C H 0.1931 0.4787 0.1787 0.040 Uiso 1 1 calc R . .
C9 C 0.0913(5) 0.3517(2) 0.13089(13) 0.0258(8) Uani 1 1 d U . .
H23A H 0.1767 0.3741 0.1172 0.039 Uiso 1 1 calc R . .
H23B H -0.0007 0.3753 0.1166 0.039 Uiso 1 1 calc R . .
H23C H 0.0883 0.2962 0.1251 0.039 Uiso 1 1 calc R . .
C10 C 0.4871(5) 0.4382(2) 0.13084(14) 0.0267(9) Uani 1 1 d U . .
H27 H 0.4074 0.4589 0.1107 0.032 Uiso 1 1 calc R . .
C11 C 0.6475(5) 0.4717(2) 0.13172(16) 0.0352(10) Uani 1 1 d U . .
H31A H 0.6814 0.4887 0.1635 0.053 Uiso 1 1 calc R . .
H31B H 0.6470 0.5156 0.1103 0.053 Uiso 1 1 calc R . .
H31C H 0.7149 0.4320 0.1219 0.053 Uiso 1 1 calc R . .
C12 C 0.4131(5) 0.1595(2) 0.30061(14) 0.0267(7) Uani 1 1 d U . .
H6 H 0.3237 0.1539 0.3151 0.032 Uiso 1 1 calc R . .
C13 C 0.5574(5) 0.1517(2) 0.32339(14) 0.0295(7) Uani 1 1 d U . .
H35 H 0.5824 0.1396 0.3554 0.035 Uiso 1 1 calc R . .
C14 C 0.6608(5) 0.1656(2) 0.28867(14) 0.0272(7) Uani 1 1 d U . .
H13 H 0.7663 0.1646 0.2932 0.033 Uiso 1 1 calc R . .
C15 C 0.5695(4) 0.1812(2) 0.24630(13) 0.0220(7) Uani 1 1 d U . .
C16 C 0.6185(4) 0.2002(2) 0.19784(13) 0.0235(6) Uani 1 1 d U . .
H25A H 0.6946 0.2413 0.2011 0.028 Uiso 1 1 calc R . .
H25B H 0.6647 0.1541 0.1851 0.028 Uiso 1 1 calc R . .
C17 C 0.5107(5) 0.2054(2) 0.11421(13) 0.0237(7) Uani 1 1 d U . .
C18 C 0.6597(5) 0.2377(3) 0.09820(15) 0.0311(9) Uani 1 1 d U . .
H9A H 0.6605 0.2939 0.1010 0.047 Uiso 1 1 calc R . .
H9B H 0.6676 0.2233 0.0656 0.047 Uiso 1 1 calc R . .
H9C H 0.7441 0.2163 0.1180 0.047 Uiso 1 1 calc R . .
C19 C 0.3777(5) 0.2374(2) 0.08149(14) 0.0299(9) Uani 1 1 d U . .
H26A H 0.2841 0.2183 0.0918 0.045 Uiso 1 1 calc R . .
H26B H 0.3865 0.2204 0.0494 0.045 Uiso 1 1 calc R . .
H26C H 0.3787 0.2937 0.0827 0.045 Uiso 1 1 calc R . .
C20 C 0.5082(5) 0.1159(2) 0.10804(15) 0.0321(9) Uani 1 1 d U . .
H19A H 0.5932 0.0933 0.1271 0.048 Uiso 1 1 calc R . .
H19B H 0.5144 0.1031 0.0751 0.048 Uiso 1 1 calc R . .
H19C H 0.4155 0.0953 0.1181 0.048 Uiso 1 1 calc R . .
C21 C 0.1117(5) 0.1348(2) 0.16860(15) 0.0285(9) Uani 1 1 d U . .
H14A H 0.0364 0.1642 0.1486 0.034 Uiso 1 1 calc R . .
H14B H 0.1522 0.0947 0.1489 0.034 Uiso 1 1 calc R . .
C22 C 0.0337(6) 0.0949(3) 0.2083(2) 0.0463(12) Uani 1 1 d U . .
H42A H -0.0504 0.0642 0.1945 0.069 Uiso 1 1 calc R . .
H42B H -0.0025 0.1340 0.2289 0.069 Uiso 1 1 calc R . .
H42C H 0.1050 0.0613 0.2264 0.069 Uiso 1 1 calc R . .
C23 C 0.5563(9) 0.2533(4) 0.4365(2) 0.0751(14) Uani 1 1 d U . .
H66A H 0.4507 0.2463 0.4260 0.113 Uiso 1 1 calc R . .
H66B H 0.5689 0.2564 0.4707 0.113 Uiso 1 1 calc R . .
H66C H 0.6133 0.2096 0.4262 0.113 Uiso 1 1 calc R . .
C24 C 0.5289(8) 0.3907(4) 0.43026(19) 0.0657(14) Uani 1 1 d U . .
H51A H 0.5821 0.4369 0.4216 0.098 Uiso 1 1 calc R . .
H51B H 0.5224 0.3906 0.4641 0.098 Uiso 1 1 calc R . .
H51C H 0.4284 0.3906 0.4139 0.098 Uiso 1 1 calc R . .
C25 C 0.7760(9) 0.3376(5) 0.4379(2) 0.0786(14) Uani 1 1 d U . .
H1 H 0.7928 0.3938 0.4367 0.094 Uiso 1 1 calc R . .
H2 H 0.7829 0.3232 0.4713 0.094 Uiso 1 1 calc R . .
C26 C 0.8934(8) 0.3033(5) 0.4193(2) 0.0761(13) Uani 1 1 d U . .
H3 H 0.8881 0.2473 0.4251 0.091 Uiso 1 1 calc R . .
H4 H 0.9865 0.3223 0.4365 0.091 Uiso 1 1 calc R . .
C27 C 1.0015(7) 0.2515(4) 0.3540(2) 0.0634(14) Uani 1 1 d U . .
H49A H 0.9610 0.2019 0.3627 0.095 Uiso 1 1 calc R . .
H49B H 1.1022 0.2578 0.3696 0.095 Uiso 1 1 calc R . .
H49C H 1.0050 0.2535 0.3201 0.095 Uiso 1 1 calc R . .
C28 C 0.9762(6) 0.3886(3) 0.35822(18) 0.0467(11) Uani 1 1 d U . .
H41A H 0.9871 0.3914 0.3247 0.070 Uiso 1 1 calc R . .
H41B H 1.0747 0.3913 0.3758 0.070 Uiso 1 1 calc R . .
H41C H 0.9150 0.4317 0.3672 0.070 Uiso 1 1 calc R . .
C29 C 0.1783(6) 0.5868(3) 0.01852(18) 0.0473(8) Uani 1 1 d U . .
C30 C 0.1124(6) 0.5519(3) 0.05579(18) 0.0485(8) Uani 1 1 d U . .
H34 H 0.1691 0.5172 0.0758 0.058 Uiso 1 1 calc R . .
C31 C -0.0331(7) 0.5675(3) 0.06357(19) 0.0513(9) Uani 1 1 d U . .
H36 H -0.0754 0.5425 0.0885 0.062 Uiso 1 1 calc R . .
C32 C -0.1204(7) 0.6203(3) 0.03494(19) 0.0528(9) Uani 1 1 d U . .
H43 H -0.2203 0.6312 0.0403 0.063 Uiso 1 1 calc R . .
C33 C -0.0538(7) 0.6554(3) -0.00144(19) 0.0512(9) Uani 1 1 d U . .
H32 H -0.1102 0.6909 -0.0210 0.061 Uiso 1 1 calc R . .
C34 C 0.0941(6) 0.6400(3) -0.00996(18) 0.0488(9) Uani 1 1 d U . .
H38 H 0.1368 0.6652 -0.0347 0.059 Uiso 1 1 calc R . .
C35 C 0.3359(7) 0.5663(4) 0.0086(2) 0.0591(13) Uani 1 1 d U . .
H48A H 0.3892 0.5436 0.0365 0.089 Uiso 1 1 calc R . .
H48B H 0.3878 0.6129 -0.0001 0.089 Uiso 1 1 calc R . .
H48C H 0.3323 0.5293 -0.0172 0.089 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 C10 2.040(4) . ?
Zn1 N2 2.079(3) . ?
Zn1 N1 2.111(3) . ?
Zn1 N4 2.114(3) . ?
Zn1 Zn2 2.8747(6) . ?
Zn1 Na2 3.3080(16) 2_655 ?
Zn2 C21 2.015(4) . ?
Zn2 N3 2.086(3) . ?
Zn2 N4 2.107(3) . ?
Zn2 N2 2.114(3) . ?
Na1 N5 2.510(4) . ?
Na1 N6 2.511(4) . ?
Na1 C1 2.702(4) . ?
Na1 C14 2.707(4) . ?
Na1 N1 2.729(3) . ?
Na1 C13 2.756(4) . ?
Na1 C4 2.765(4) . ?
Na1 C2 2.767(4) . ?
Na1 C3 2.806(4) . ?
Na2 C13 2.573(4) . ?
Na2 C1 2.590(4) 2_645 ?
Na2 N1 2.620(3) 2_645 ?
Na2 C14 2.669(4) . ?
Na2 C2 2.683(4) 2_645 ?
Na2 C4 2.693(4) 2_645 ?
Na2 C12 2.706(4) . ?
Na2 C3 2.735(4) 2_645 ?
Na2 C15 2.840(4) . ?
Na2 N3 2.868(3) . ?
Na2 C10 3.036(4) 2_645 ?
Na2 Zn1 3.3080(16) 2_645 ?
N1 C4 1.364(5) . ?
N1 C1 1.376(5) . ?
N1 Na2 2.620(3) 2_655 ?
N2 C5 1.494(4) . ?
N2 C6 1.507(4) . ?
N3 C15 1.353(5) . ?
N3 C12 1.366(5) . ?
N4 C16 1.466(5) . ?
N4 C17 1.481(4) . ?
N5 C23 1.401(8) . ?
N5 C24 1.424(7) . ?
N5 C25 1.557(9) . ?
N6 C26 1.449(7) . ?
N6 C28 1.450(6) . ?
N6 C27 1.473(8) . ?
C1 C2 1.379(5) . ?
C1 Na2 2.590(4) 2_655 ?
C1 H17 0.9300 . ?
C2 C3 1.409(6) . ?
C2 Na2 2.683(4) 2_655 ?
C2 H7 0.9300 . ?
C3 C4 1.392(5) . ?
C3 Na2 2.735(4) 2_655 ?
C3 H22 0.9300 . ?
C4 C5 1.498(5) . ?
C4 Na2 2.693(4) 2_655 ?
C5 H18A 0.9700 . ?
C5 H18B 0.9700 . ?
C6 C9 1.523(5) . ?
C6 C7 1.536(5) . ?
C6 C8 1.540(5) . ?
C7 H20A 0.9600 . ?
C7 H20B 0.9600 . ?
C7 H20C 0.9600 . ?
C8 H21A 0.9600 . ?
C8 H21B 0.9600 . ?
C8 H21C 0.9600 . ?
C9 H23A 0.9600 . ?
C9 H23B 0.9600 . ?
C9 H23C 0.9600 . ?
C10 C11 1.528(6) . ?
C10 Na2 3.036(4) 2_655 ?
C10 H27 0.9300 . ?
C11 H31A 0.9600 . ?
C11 H31B 0.9600 . ?
C11 H31C 0.9600 . ?
C12 C13 1.378(6) . ?
C12 H6 0.9300 . ?
C13 C14 1.422(6) . ?
C13 H35 0.9300 . ?
C14 C15 1.400(5) . ?
C14 H13 0.9300 . ?
C15 C16 1.507(5) . ?
C16 H25A 0.9700 . ?
C16 H25B 0.9700 . ?
C17 C19 1.524(6) . ?
C17 C18 1.536(6) . ?
C17 C20 1.534(5) . ?
C18 H9A 0.9600 . ?
C18 H9B 0.9600 . ?
C18 H9C 0.9600 . ?
C19 H26A 0.9600 . ?
C19 H26B 0.9600 . ?
C19 H26C 0.9600 . ?
C20 H19A 0.9600 . ?
C20 H19B 0.9600 . ?
C20 H19C 0.9600 . ?
C21 C22 1.530(7) . ?
C21 H14A 0.9700 . ?
C21 H14B 0.9700 . ?
C22 H42A 0.9600 . ?
C22 H42B 0.9600 . ?
C22 H42C 0.9600 . ?
C23 H66A 0.9600 . ?
C23 H66B 0.9600 . ?
C23 H66C 0.9600 . ?
C24 H51A 0.9600 . ?
C24 H51B 0.9600 . ?
C24 H51C 0.9600 . ?
C25 C26 1.341(10) . ?
C25 H1 0.9700 . ?
C25 H2 0.9700 . ?
C26 H3 0.9700 . ?
C26 H4 0.9700 . ?
C27 H49A 0.9600 . ?
C27 H49B 0.9600 . ?
C27 H49C 0.9600 . ?
C28 H41A 0.9600 . ?
C28 H41B 0.9600 . ?
C28 H41C 0.9600 . ?
C29 C34 1.380(7) . ?
C29 C30 1.383(8) . ?
C29 C35 1.490(8) . ?
C30 C31 1.353(8) . ?
C30 H34 0.9300 . ?
C31 C32 1.391(8) . ?
C31 H36 0.9300 . ?
C32 C33 1.369(8) . ?
C32 H43 0.9300 . ?
C33 C34 1.378(8) . ?
C33 H32 0.9300 . ?
C34 H38 0.9300 . ?
C35 H48A 0.9600 . ?
C35 H48B 0.9600 . ?
C35 H48C 0.9600 . ?

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
C10 Zn1 N2 123.57(14) . . ?
C10 Zn1 N1 108.47(14) . . ?
N2 Zn1 N1 84.05(11) . . ?
C10 Zn1 N4 128.41(13) . . ?
N2 Zn1 N4 94.14(11) . . ?
N1 Zn1 N4 109.32(11) . . ?
C10 Zn1 Zn2 147.70(11) . . ?
N2 Zn1 Zn2 47.23(8) . . ?
N1 Zn1 Zn2 101.41(8) . . ?
N4 Zn1 Zn2 46.97(8) . . ?
C10 Zn1 Na2 64.15(11) . 2_655 ?
N2 Zn1 Na2 86.70(8) . 2_655 ?
N1 Zn1 Na2 52.34(8) . 2_655 ?
N4 Zn1 Na2 161.51(8) . 2_655 ?
Zn2 Zn1 Na2 131.72(3) . 2_655 ?
C21 Zn2 N3 118.54(14) . . ?
C21 Zn2 N4 128.17(14) . . ?
N3 Zn2 N4 82.93(11) . . ?
C21 Zn2 N2 123.93(14) . . ?
N3 Zn2 N2 100.12(11) . . ?
N4 Zn2 N2 93.34(11) . . ?
C21 Zn2 Zn1 147.12(12) . . ?
N3 Zn2 Zn1 94.09(9) . . ?
N4 Zn2 Zn1 47.17(7) . . ?
N2 Zn2 Zn1 46.22(8) . . ?
N5 Na1 N6 75.14(15) . . ?
N5 Na1 C1 126.93(14) . . ?
N6 Na1 C1 98.22(13) . . ?
N5 Na1 C14 121.93(14) . . ?
N6 Na1 C14 96.92(14) . . ?
C1 Na1 C14 111.12(13) . . ?
N5 Na1 N1 139.61(13) . . ?
N6 Na1 N1 124.36(12) . . ?
C1 Na1 N1 29.34(10) . . ?
C14 Na1 N1 92.72(11) . . ?
N5 Na1 C13 96.47(14) . . ?
N6 Na1 C13 107.33(14) . . ?
C1 Na1 C13 134.26(13) . . ?
C14 Na1 C13 30.16(13) . . ?
N1 Na1 C13 107.90(11) . . ?
N5 Na1 C4 113.93(14) . . ?
N6 Na1 C4 143.72(13) . . ?
C1 Na1 C4 47.25(12) . . ?
C14 Na1 C4 105.52(12) . . ?
N1 Na1 C4 28.75(10) . . ?
C13 Na1 C4 106.34(12) . . ?
N5 Na1 C2 98.25(13) . . ?
N6 Na1 C2 97.02(13) . . ?
C1 Na1 C2 29.18(12) . . ?
C14 Na1 C2 139.63(13) . . ?
N1 Na1 C2 48.77(10) . . ?
C13 Na1 C2 154.09(13) . . ?
C4 Na1 C2 47.99(11) . . ?
N5 Na1 C3 91.51(13) . . ?
N6 Na1 C3 122.92(13) . . ?
C1 Na1 C3 47.63(12) . . ?
C14 Na1 C3 134.44(12) . . ?
N1 Na1 C3 48.14(10) . . ?
C13 Na1 C3 129.45(13) . . ?
C4 Na1 C3 28.93(11) . . ?
C2 Na1 C3 29.28(12) . . ?
C13 Na2 C1 142.21(15) . 2_645 ?
C13 Na2 N1 157.36(14) . 2_645 ?
C1 Na2 N1 30.62(11) 2_645 2_645 ?
C13 Na2 C14 31.42(13) . . ?
C1 Na2 C14 153.02(14) 2_645 . ?
N1 Na2 C14 170.35(14) 2_645 . ?
C13 Na2 C2 139.08(14) . 2_645 ?
C1 Na2 C2 30.26(12) 2_645 2_645 ?
N1 Na2 C2 50.65(11) 2_645 2_645 ?
C14 Na2 C2 127.69(13) . 2_645 ?
C13 Na2 C4 168.79(15) . 2_645 ?
C1 Na2 C4 48.98(12) 2_645 2_645 ?
N1 Na2 C4 29.72(11) 2_645 2_645 ?
C14 Na2 C4 140.72(14) . 2_645 ?
C2 Na2 C4 49.48(12) 2_645 2_645 ?
C13 Na2 C12 30.12(13) . . ?
C1 Na2 C12 113.60(14) 2_645 . ?
N1 Na2 C12 139.63(13) 2_645 . ?
C14 Na2 C12 49.49(13) . . ?
C2 Na2 C12 110.91(13) 2_645 . ?
C4 Na2 C12 160.21(13) 2_645 . ?
C13 Na2 C3 151.49(14) . 2_645 ?
C1 Na2 C3 49.33(12) 2_645 2_645 ?
N1 Na2 C3 49.83(11) 2_645 2_645 ?
C14 Na2 C3 122.99(13) . 2_645 ?
C2 Na2 C3 30.13(12) 2_645 2_645 ?
C4 Na2 C3 29.71(11) 2_645 2_645 ?
C12 Na2 C3 134.42(13) . 2_645 ?
C13 Na2 C15 48.63(12) . . ?
C1 Na2 C15 124.13(13) 2_645 . ?
N1 Na2 C15 149.62(12) 2_645 . ?
C14 Na2 C15 29.23(11) . . ?
C2 Na2 C15 99.26(12) 2_645 . ?
C4 Na2 C15 130.32(13) 2_645 . ?
C12 Na2 C15 46.47(12) . . ?
C3 Na2 C15 102.90(12) 2_645 . ?
C13 Na2 N3 48.43(11) . . ?
C1 Na2 N3 106.32(12) 2_645 . ?
N1 Na2 N3 136.90(11) 2_645 . ?
C14 Na2 N3 48.04(11) . . ?
C2 Na2 N3 91.05(11) 2_645 . ?
C4 Na2 N3 137.49(12) 2_645 . ?
C12 Na2 N3 28.18(10) . . ?
C3 Na2 N3 108.14(11) 2_645 . ?
C15 Na2 N3 27.43(10) . . ?
C13 Na2 C10 87.49(12) . 2_645 ?
C1 Na2 C10 88.67(12) 2_645 2_645 ?
N1 Na2 C10 72.67(10) 2_645 2_645 ?
C14 Na2 C10 112.14(12) . 2_645 ?
C2 Na2 C10 118.61(12) 2_645 2_645 ?
C4 Na2 C10 92.68(11) 2_645 2_645 ?
C12 Na2 C10 96.49(12) . 2_645 ?
C3 Na2 C10 120.98(12) 2_645 2_645 ?
C15 Na2 C10 136.11(12) . 2_645 ?
N3 Na2 C10 124.33(11) . 2_645 ?
C13 Na2 Zn1 123.84(11) . 2_645 ?
C1 Na2 Zn1 65.54(9) 2_645 2_645 ?
N1 Na2 Zn1 39.63(7) 2_645 2_645 ?
C14 Na2 Zn1 141.06(10) . 2_645 ?
C2 Na2 Zn1 90.21(9) 2_645 2_645 ?
C4 Na2 Zn1 55.49(8) 2_645 2_645 ?
C12 Na2 Zn1 131.57(10) . 2_645 ?
C3 Na2 Zn1 84.22(9) 2_645 2_645 ?
C15 Na2 Zn1 170.29(10) . 2_645 ?
N3 Na2 Zn1 155.83(9) . 2_645 ?
C10 Na2 Zn1 37.19(7) 2_645 2_645 ?
C4 N1 C1 106.2(3) . . ?
C4 N1 Zn1 108.0(2) . . ?
C1 N1 Zn1 136.4(2) . . ?
C4 N1 Na2 78.1(2) . 2_655 ?
C1 N1 Na2 73.5(2) . 2_655 ?
Zn1 N1 Na2 88.03(10) . 2_655 ?
C4 N1 Na1 77.08(19) . . ?
C1 N1 Na1 74.2(2) . . ?
Zn1 N1 Na1 139.61(13) . . ?
Na2 N1 Na1 131.26(12) 2_655 . ?
C5 N2 C6 110.0(3) . . ?
C5 N2 Zn1 110.2(2) . . ?
C6 N2 Zn1 119.8(2) . . ?
C5 N2 Zn2 110.6(2) . . ?
C6 N2 Zn2 117.7(2) . . ?
Zn1 N2 Zn2 86.56(11) . . ?
C15 N3 C12 107.4(3) . . ?
C15 N3 Zn2 111.5(2) . . ?
C12 N3 Zn2 140.8(3) . . ?
C15 N3 Na2 75.1(2) . . ?
C12 N3 Na2 69.3(2) . . ?
Zn2 N3 Na2 125.90(13) . . ?
C16 N4 C17 112.9(3) . . ?
C16 N4 Zn2 111.4(2) . . ?
C17 N4 Zn2 120.9(2) . . ?
C16 N4 Zn1 108.7(2) . . ?
C17 N4 Zn1 113.7(2) . . ?
Zn2 N4 Zn1 85.85(10) . . ?
C23 N5 C24 113.3(5) . . ?
C23 N5 C25 109.3(5) . . ?
C24 N5 C25 104.3(5) . . ?
C23 N5 Na1 111.4(3) . . ?
C24 N5 Na1 115.7(3) . . ?
C25 N5 Na1 101.7(3) . . ?
C26 N6 C28 113.2(5) . . ?
C26 N6 C27 105.6(5) . . ?
C28 N6 C27 107.0(4) . . ?
C26 N6 Na1 106.1(4) . . ?
C28 N6 Na1 111.6(3) . . ?
C27 N6 Na1 113.2(3) . . ?
N1 C1 C2 110.9(3) . . ?
N1 C1 Na2 75.9(2) . 2_655 ?
C2 C1 Na2 78.6(2) . 2_655 ?
N1 C1 Na1 76.4(2) . . ?
C2 C1 Na1 78.0(2) . . ?
Na2 C1 Na1 134.08(17) 2_655 . ?
N1 C1 H17 124.5 . . ?
C2 C1 H17 124.5 . . ?
Na2 C1 H17 112.9 2_655 . ?
Na1 C1 H17 113.0 . . ?
C1 C2 C3 105.9(3) . . ?
C1 C2 Na2 71.1(2) . 2_655 ?
C3 C2 Na2 77.0(2) . 2_655 ?
C1 C2 Na1 72.8(2) . . ?
C3 C2 Na1 76.9(2) . . ?
Na2 C2 Na1 126.78(15) 2_655 . ?
C1 C2 H7 127.0 . . ?
C3 C2 H7 127.0 . . ?
Na2 C2 H7 117.1 2_655 . ?
Na1 C2 H7 115.7 . . ?
C4 C3 C2 106.9(3) . . ?
C4 C3 Na2 73.5(2) . 2_655 ?
C2 C3 Na2 72.9(2) . 2_655 ?
C4 C3 Na1 73.9(2) . . ?
C2 C3 Na1 73.8(2) . . ?
Na2 C3 Na1 123.16(15) 2_655 . ?
C4 C3 H22 126.6 . . ?
C2 C3 H22 126.6 . . ?
Na2 C3 H22 119.1 2_655 . ?
Na1 C3 H22 117.8 . . ?
N1 C4 C3 110.0(3) . . ?
N1 C4 C5 119.8(3) . . ?
C3 C4 C5 130.2(3) . . ?
N1 C4 Na2 72.20(19) . 2_655 ?
C3 C4 Na2 76.8(2) . 2_655 ?
C5 C4 Na2 116.8(2) . 2_655 ?
N1 C4 Na1 74.17(19) . . ?
C3 C4 Na1 77.2(2) . . ?
C5 C4 Na1 115.8(2) . . ?
Na2 C4 Na1 126.47(15) 2_655 . ?
N2 C5 C4 111.5(3) . . ?
N2 C5 H18A 109.3 . . ?
C4 C5 H18A 109.3 . . ?
N2 C5 H18B 109.3 . . ?
C4 C5 H18B 109.3 . . ?
H18A C5 H18B 108.0 . . ?
N2 C6 C9 108.4(3) . . ?
N2 C6 C7 111.3(3) . . ?
C9 C6 C7 107.7(3) . . ?
N2 C6 C8 112.2(3) . . ?
C9 C6 C8 107.7(3) . . ?
C7 C6 C8 109.4(3) . . ?
C6 C7 H20A 109.5 . . ?
C6 C7 H20B 109.5 . . ?
H20A C7 H20B 109.5 . . ?
C6 C7 H20C 109.5 . . ?
H20A C7 H20C 109.5 . . ?
H20B C7 H20C 109.5 . . ?
C6 C8 H21A 109.5 . . ?
C6 C8 H21B 109.5 . . ?
H21A C8 H21B 109.5 . . ?
C6 C8 H21C 109.5 . . ?
H21A C8 H21C 109.5 . . ?
H21B C8 H21C 109.5 . . ?
C6 C9 H23A 109.5 . . ?
C6 C9 H23B 109.5 . . ?
H23A C9 H23B 109.5 . . ?
C6 C9 H23C 109.5 . . ?
H23A C9 H23C 109.5 . . ?
H23B C9 H23C 109.5 . . ?
C11 C10 Zn1 118.0(3) . . ?
C11 C10 Na2 87.6(2) . 2_655 ?
Zn1 C10 Na2 78.65(12) . 2_655 ?
C11 C10 H27 121.0 . . ?
Zn1 C10 H27 121.0 . . ?
Na2 C10 H27 103.4 2_655 . ?
C10 C11 H31A 109.5 . . ?
C10 C11 H31B 109.5 . . ?
H31A C11 H31B 109.5 . . ?
C10 C11 H31C 109.5 . . ?
H31A C11 H31C 109.5 . . ?
H31B C11 H31C 109.5 . . ?
N3 C12 C13 110.0(4) . . ?
N3 C12 Na2 82.5(2) . . ?
C13 C12 Na2 69.6(2) . . ?
N3 C12 H6 125.0 . . ?
C13 C12 H6 125.0 . . ?
Na2 C12 H6 114.7 . . ?
C12 C13 C14 107.0(3) . . ?
C12 C13 Na2 80.3(2) . . ?
C14 C13 Na2 78.0(2) . . ?
C12 C13 Na1 98.9(2) . . ?
C14 C13 Na1 73.0(2) . . ?
Na2 C13 Na1 149.46(18) . . ?
C12 C13 H35 126.5 . . ?
C14 C13 H35 126.5 . . ?
Na2 C13 H35 108.4 . . ?
Na1 C13 H35 96.6 . . ?
C15 C14 C13 105.2(4) . . ?
C15 C14 Na2 82.2(2) . . ?
C13 C14 Na2 70.6(2) . . ?
C15 C14 Na1 97.6(2) . . ?
C13 C14 Na1 76.8(2) . . ?
Na2 C14 Na1 145.99(18) . . ?
C15 C14 H13 127.4 . . ?
C13 C14 H13 127.4 . . ?
Na2 C14 H13 112.7 . . ?
Na1 C14 H13 94.5 . . ?
N3 C15 C14 110.4(3) . . ?
N3 C15 C16 121.2(3) . . ?
C14 C15 C16 128.4(4) . . ?
N3 C15 Na2 77.5(2) . . ?
C14 C15 Na2 68.6(2) . . ?
C16 C15 Na2 120.7(2) . . ?
N4 C16 C15 112.1(3) . . ?
N4 C16 H25A 109.2 . . ?
C15 C16 H25A 109.2 . . ?
N4 C16 H25B 109.2 . . ?
C15 C16 H25B 109.2 . . ?
H25A C16 H25B 107.9 . . ?
N4 C17 C19 109.6(3) . . ?
N4 C17 C18 112.3(3) . . ?
C19 C17 C18 109.1(3) . . ?
N4 C17 C20 109.9(3) . . ?
C19 C17 C20 106.6(3) . . ?
C18 C17 C20 109.1(3) . . ?
C17 C18 H9A 109.5 . . ?
C17 C18 H9B 109.5 . . ?
H9A C18 H9B 109.5 . . ?
C17 C18 H9C 109.5 . . ?
H9A C18 H9C 109.5 . . ?
H9B C18 H9C 109.5 . . ?
C17 C19 H26A 109.5 . . ?
C17 C19 H26B 109.5 . . ?
H26A C19 H26B 109.5 . . ?
C17 C19 H26C 109.5 . . ?
H26A C19 H26C 109.5 . . ?
H26B C19 H26C 109.5 . . ?
C17 C20 H19A 109.5 . . ?
C17 C20 H19B 109.5 . . ?
H19A C20 H19B 109.5 . . ?
C17 C20 H19C 109.5 . . ?
H19A C20 H19C 109.5 . . ?
H19B C20 H19C 109.5 . . ?
C22 C21 Zn2 113.9(3) . . ?
C22 C21 H14A 108.8 . . ?
Zn2 C21 H14A 108.8 . . ?
C22 C21 H14B 108.8 . . ?
Zn2 C21 H14B 108.8 . . ?
H14A C21 H14B 107.7 . . ?
C21 C22 H42A 109.5 . . ?
C21 C22 H42B 109.5 . . ?
H42A C22 H42B 109.5 . . ?
C21 C22 H42C 109.5 . . ?
H42A C22 H42C 109.5 . . ?
H42B C22 H42C 109.5 . . ?
N5 C23 H66A 109.5 . . ?
N5 C23 H66B 109.5 . . ?
H66A C23 H66B 109.5 . . ?
N5 C23 H66C 109.5 . . ?
H66A C23 H66C 109.5 . . ?
H66B C23 H66C 109.5 . . ?
N5 C24 H51A 109.5 . . ?
N5 C24 H51B 109.5 . . ?
H51A C24 H51B 109.5 . . ?
N5 C24 H51C 109.5 . . ?
H51A C24 H51C 109.5 . . ?
H51B C24 H51C 109.5 . . ?
C26 C25 N5 121.8(6) . . ?
C26 C25 H1 106.9 . . ?
N5 C25 H1 106.9 . . ?
C26 C25 H2 106.9 . . ?
N5 C25 H2 106.9 . . ?
H1 C25 H2 106.7 . . ?
C25 C26 N6 116.5(6) . . ?
C25 C26 H3 108.2 . . ?
N6 C26 H3 108.2 . . ?
C25 C26 H4 108.2 . . ?
N6 C26 H4 108.2 . . ?
H3 C26 H4 107.3 . . ?
N6 C27 H49A 109.5 . . ?
N6 C27 H49B 109.5 . . ?
H49A C27 H49B 109.5 . . ?
N6 C27 H49C 109.5 . . ?
H49A C27 H49C 109.5 . . ?
H49B C27 H49C 109.5 . . ?
N6 C28 H41A 109.5 . . ?
N6 C28 H41B 109.5 . . ?
H41A C28 H41B 109.5 . . ?
N6 C28 H41C 109.5 . . ?
H41A C28 H41C 109.5 . . ?
H41B C28 H41C 109.5 . . ?
C34 C29 C30 118.7(5) . . ?
C34 C29 C35 120.4(5) . . ?
C30 C29 C35 120.9(5) . . ?
C31 C30 C29 121.1(5) . . ?
C31 C30 H34 119.5 . . ?
C29 C30 H34 119.5 . . ?
C30 C31 C32 121.1(5) . . ?
C30 C31 H36 119.5 . . ?
C32 C31 H36 119.5 . . ?
C33 C32 C31 117.5(6) . . ?
C33 C32 H43 121.2 . . ?
C31 C32 H43 121.2 . . ?
C32 C33 C34 122.1(5) . . ?
C32 C33 H32 118.9 . . ?
C34 C33 H32 118.9 . . ?
C33 C34 C29 119.5(5) . . ?
C33 C34 H38 120.3 . . ?
C29 C34 H38 120.3 . . ?
C29 C35 H48A 109.5 . . ?
C29 C35 H48B 109.5 . . ?
H48A C35 H48B 109.5 . . ?
C29 C35 H48C 109.5 . . ?
H48A C35 H48C 109.5 . . ?
H48B C35 H48C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C10 Zn1 Zn2 C21 -0.2(3) . . . . ?
N2 Zn1 Zn2 C21 86.7(2) . . . . ?
N1 Zn1 Zn2 C21 157.3(2) . . . . ?
N4 Zn1 Zn2 C21 -96.8(2) . . . . ?
Na2 Zn1 Zn2 C21 108.3(2) 2_655 . . . ?
C10 Zn1 Zn2 N3 173.0(2) . . . . ?
N2 Zn1 Zn2 N3 -100.11(13) . . . . ?
N1 Zn1 Zn2 N3 -29.43(12) . . . . ?
N4 Zn1 Zn2 N3 76.43(13) . . . . ?
Na2 Zn1 Zn2 N3 -78.51(10) 2_655 . . . ?
C10 Zn1 Zn2 N4 96.6(2) . . . . ?
N2 Zn1 Zn2 N4 -176.54(14) . . . . ?
N1 Zn1 Zn2 N4 -105.86(13) . . . . ?
Na2 Zn1 Zn2 N4 -154.94(11) 2_655 . . . ?
C10 Zn1 Zn2 N2 -86.9(2) . . . . ?
N1 Zn1 Zn2 N2 70.68(13) . . . . ?
N4 Zn1 Zn2 N2 176.54(14) . . . . ?
Na2 Zn1 Zn2 N2 21.60(11) 2_655 . . . ?
C10 Zn1 N1 C4 109.8(2) . . . . ?
N2 Zn1 N1 C4 -13.6(2) . . . . ?
N4 Zn1 N1 C4 -106.0(2) . . . . ?
Zn2 Zn1 N1 C4 -57.8(2) . . . . ?
Na2 Zn1 N1 C4 76.8(2) 2_655 . . . ?
C10 Zn1 N1 C1 -30.3(4) . . . . ?
N2 Zn1 N1 C1 -153.8(4) . . . . ?
N4 Zn1 N1 C1 113.9(3) . . . . ?
Zn2 Zn1 N1 C1 162.1(3) . . . . ?
Na2 Zn1 N1 C1 -63.3(3) 2_655 . . . ?
C10 Zn1 N1 Na2 33.03(16) . . . 2_655 ?
N2 Zn1 N1 Na2 -90.43(11) . . . 2_655 ?
N4 Zn1 N1 Na2 177.26(10) . . . 2_655 ?
Zn2 Zn1 N1 Na2 -134.57(7) . . . 2_655 ?
C10 Zn1 N1 Na1 -159.1(2) . . . . ?
N2 Zn1 N1 Na1 77.5(2) . . . . ?
N4 Zn1 N1 Na1 -14.8(2) . . . . ?
Zn2 Zn1 N1 Na1 33.3(2) . . . . ?
Na2 Zn1 N1 Na1 167.9(3) 2_655 . . . ?
N5 Na1 N1 C4 -32.7(3) . . . . ?
N6 Na1 N1 C4 -141.6(2) . . . . ?
C1 Na1 N1 C4 -111.3(3) . . . . ?
C14 Na1 N1 C4 118.1(2) . . . . ?
C13 Na1 N1 C4 91.5(2) . . . . ?
C2 Na1 N1 C4 -75.4(2) . . . . ?
C3 Na1 N1 C4 -35.9(2) . . . . ?
N5 Na1 N1 C1 78.5(3) . . . . ?
N6 Na1 N1 C1 -30.4(3) . . . . ?
C14 Na1 N1 C1 -130.7(2) . . . . ?
C13 Na1 N1 C1 -157.3(2) . . . . ?
C4 Na1 N1 C1 111.3(3) . . . . ?
C2 Na1 N1 C1 35.9(2) . . . . ?
C3 Na1 N1 C1 75.4(2) . . . . ?
N5 Na1 N1 Zn1 -135.4(2) . . . . ?
N6 Na1 N1 Zn1 115.6(2) . . . . ?
C1 Na1 N1 Zn1 146.0(4) . . . . ?
C14 Na1 N1 Zn1 15.4(2) . . . . ?
C13 Na1 N1 Zn1 -11.2(3) . . . . ?
C4 Na1 N1 Zn1 -102.7(3) . . . . ?
C2 Na1 N1 Zn1 -178.1(3) . . . . ?
C3 Na1 N1 Zn1 -138.6(3) . . . . ?
N5 Na1 N1 Na2 28.4(3) . . . 2_655 ?
N6 Na1 N1 Na2 -80.5(2) . . . 2_655 ?
C1 Na1 N1 Na2 -50.1(2) . . . 2_655 ?
C14 Na1 N1 Na2 179.18(18) . . . 2_655 ?
C13 Na1 N1 Na2 152.60(17) . . . 2_655 ?
C4 Na1 N1 Na2 61.1(2) . . . 2_655 ?
C2 Na1 N1 Na2 -14.26(16) . . . 2_655 ?
C3 Na1 N1 Na2 25.21(16) . . . 2_655 ?
C10 Zn1 N2 C5 -109.1(2) . . . . ?
N1 Zn1 N2 C5 -0.9(2) . . . . ?
N4 Zn1 N2 C5 108.1(2) . . . . ?
Zn2 Zn1 N2 C5 110.7(2) . . . . ?
Na2 Zn1 N2 C5 -53.4(2) 2_655 . . . ?
C10 Zn1 N2 C6 20.1(3) . . . . ?
N1 Zn1 N2 C6 128.3(3) . . . . ?
N4 Zn1 N2 C6 -122.7(2) . . . . ?
Zn2 Zn1 N2 C6 -120.1(3) . . . . ?
Na2 Zn1 N2 C6 75.8(2) 2_655 . . . ?
C10 Zn1 N2 Zn2 140.19(14) . . . . ?
N1 Zn1 N2 Zn2 -111.56(11) . . . . ?
N4 Zn1 N2 Zn2 -2.54(11) . . . . ?
Na2 Zn1 N2 Zn2 -164.03(8) 2_655 . . . ?
C21 Zn2 N2 C5 110.5(3) . . . . ?
N3 Zn2 N2 C5 -24.4(2) . . . . ?
N4 Zn2 N2 C5 -107.8(2) . . . . ?
Zn1 Zn2 N2 C5 -110.3(2) . . . . ?
C21 Zn2 N2 C6 -17.1(3) . . . . ?
N3 Zn2 N2 C6 -152.0(2) . . . . ?
N4 Zn2 N2 C6 124.6(2) . . . . ?
Zn1 Zn2 N2 C6 122.1(3) . . . . ?
C21 Zn2 N2 Zn1 -139.22(16) . . . . ?
N3 Zn2 N2 Zn1 85.95(12) . . . . ?
N4 Zn2 N2 Zn1 2.54(11) . . . . ?
C21 Zn2 N3 C15 129.0(3) . . . . ?
N4 Zn2 N3 C15 -0.9(2) . . . . ?
N2 Zn2 N3 C15 -93.1(2) . . . . ?
Zn1 Zn2 N3 C15 -46.9(2) . . . . ?
C21 Zn2 N3 C12 -59.2(4) . . . . ?
N4 Zn2 N3 C12 170.9(4) . . . . ?
N2 Zn2 N3 C12 78.7(4) . . . . ?
Zn1 Zn2 N3 C12 125.0(4) . . . . ?
C21 Zn2 N3 Na2 42.2(2) . . . . ?
N4 Zn2 N3 Na2 -87.73(16) . . . . ?
N2 Zn2 N3 Na2 -179.87(16) . . . . ?
Zn1 Zn2 N3 Na2 -133.65(14) . . . . ?
C13 Na2 N3 C15 77.9(2) . . . . ?
C1 Na2 N3 C15 -134.8(2) 2_645 . . . ?
N1 Na2 N3 C15 -133.0(2) 2_645 . . . ?
C14 Na2 N3 C15 35.4(2) . . . . ?
C2 Na2 N3 C15 -108.3(2) 2_645 . . . ?
C4 Na2 N3 C15 -88.7(3) 2_645 . . . ?
C12 Na2 N3 C15 115.5(3) . . . . ?
C3 Na2 N3 C15 -83.0(2) 2_645 . . . ?
C10 Na2 N3 C15 125.4(2) 2_645 . . . ?
Zn1 Na2 N3 C15 158.8(2) 2_645 . . . ?
C13 Na2 N3 C12 -37.6(2) . . . . ?
C1 Na2 N3 C12 109.7(2) 2_645 . . . ?
N1 Na2 N3 C12 111.5(3) 2_645 . . . ?
C14 Na2 N3 C12 -80.1(3) . . . . ?
C2 Na2 N3 C12 136.2(2) 2_645 . . . ?
C4 Na2 N3 C12 155.8(3) 2_645 . . . ?
C3 Na2 N3 C12 161.5(2) 2_645 . . . ?
C15 Na2 N3 C12 -115.5(3) . . . . ?
C10 Na2 N3 C12 9.8(3) 2_645 . . . ?
Zn1 Na2 N3 C12 43.3(3) 2_645 . . . ?
C13 Na2 N3 Zn2 -176.1(2) . . . . ?
C1 Na2 N3 Zn2 -28.8(2) 2_645 . . . ?
N1 Na2 N3 Zn2 -27.0(3) 2_645 . . . ?
C14 Na2 N3 Zn2 141.4(2) . . . . ?
C2 Na2 N3 Zn2 -2.33(19) 2_645 . . . ?
C4 Na2 N3 Zn2 17.3(3) 2_645 . . . ?
C12 Na2 N3 Zn2 -138.5(3) . . . . ?
C3 Na2 N3 Zn2 22.9(2) 2_645 . . . ?
C15 Na2 N3 Zn2 106.0(3) . . . . ?
C10 Na2 N3 Zn2 -128.67(16) 2_645 . . . ?
Zn1 Na2 N3 Zn2 -95.2(2) 2_645 . . . ?
C21 Zn2 N4 C16 -114.8(3) . . . . ?
N3 Zn2 N4 C16 6.2(2) . . . . ?
N2 Zn2 N4 C16 106.0(2) . . . . ?
Zn1 Zn2 N4 C16 108.5(2) . . . . ?
C21 Zn2 N4 C17 21.4(3) . . . . ?
N3 Zn2 N4 C17 142.4(3) . . . . ?
N2 Zn2 N4 C17 -117.8(2) . . . . ?
Zn1 Zn2 N4 C17 -115.3(3) . . . . ?
C21 Zn2 N4 Zn1 136.71(15) . . . . ?
N3 Zn2 N4 Zn1 -102.30(11) . . . . ?
N2 Zn2 N4 Zn1 -2.50(10) . . . . ?
C10 Zn1 N4 C16 111.5(3) . . . . ?
N2 Zn1 N4 C16 -108.6(2) . . . . ?
N1 Zn1 N4 C16 -23.5(2) . . . . ?
Zn2 Zn1 N4 C16 -111.2(2) . . . . ?
Na2 Zn1 N4 C16 -16.6(4) 2_655 . . . ?
C10 Zn1 N4 C17 -15.3(3) . . . . ?
N2 Zn1 N4 C17 124.6(2) . . . . ?
N1 Zn1 N4 C17 -150.2(2) . . . . ?
Zn2 Zn1 N4 C17 122.1(3) . . . . ?
Na2 Zn1 N4 C17 -143.4(2) 2_655 . . . ?
C10 Zn1 N4 Zn2 -137.36(16) . . . . ?
N2 Zn1 N4 Zn2 2.55(11) . . . . ?
N1 Zn1 N4 Zn2 87.68(12) . . . . ?
Na2 Zn1 N4 Zn2 94.5(3) 2_655 . . . ?
N6 Na1 N5 C23 -109.3(4) . . . . ?
C1 Na1 N5 C23 161.5(4) . . . . ?
C14 Na1 N5 C23 -20.4(5) . . . . ?
N1 Na1 N5 C23 124.6(4) . . . . ?
C13 Na1 N5 C23 -3.0(4) . . . . ?
C4 Na1 N5 C23 108.1(4) . . . . ?
C2 Na1 N5 C23 155.6(4) . . . . ?
C3 Na1 N5 C23 127.0(4) . . . . ?
N6 Na1 N5 C24 119.4(4) . . . . ?
C1 Na1 N5 C24 30.2(5) . . . . ?
C14 Na1 N5 C24 -151.7(4) . . . . ?
N1 Na1 N5 C24 -6.7(5) . . . . ?
C13 Na1 N5 C24 -134.4(4) . . . . ?
C4 Na1 N5 C24 -23.2(5) . . . . ?
C2 Na1 N5 C24 24.3(4) . . . . ?
C3 Na1 N5 C24 -4.4(4) . . . . ?
N6 Na1 N5 C25 7.0(4) . . . . ?
C1 Na1 N5 C25 -82.2(4) . . . . ?
C14 Na1 N5 C25 96.0(4) . . . . ?
N1 Na1 N5 C25 -119.1(4) . . . . ?
C13 Na1 N5 C25 113.3(4) . . . . ?
C4 Na1 N5 C25 -135.6(4) . . . . ?
C2 Na1 N5 C25 -88.1(4) . . . . ?
C3 Na1 N5 C25 -116.7(4) . . . . ?
N5 Na1 N6 C26 14.4(4) . . . . ?
C1 Na1 N6 C26 140.5(4) . . . . ?
C14 Na1 N6 C26 -106.9(4) . . . . ?
N1 Na1 N6 C26 155.0(4) . . . . ?
C13 Na1 N6 C26 -77.8(4) . . . . ?
C4 Na1 N6 C26 124.8(4) . . . . ?
C2 Na1 N6 C26 111.1(4) . . . . ?
C3 Na1 N6 C26 96.4(4) . . . . ?
N5 Na1 N6 C28 -109.3(3) . . . . ?
C1 Na1 N6 C28 16.8(3) . . . . ?
C14 Na1 N6 C28 129.4(3) . . . . ?
N1 Na1 N6 C28 31.3(4) . . . . ?
C13 Na1 N6 C28 158.4(3) . . . . ?
C4 Na1 N6 C28 1.0(4) . . . . ?
C2 Na1 N6 C28 -12.6(3) . . . . ?
C3 Na1 N6 C28 -27.3(4) . . . . ?
N5 Na1 N6 C27 129.8(4) . . . . ?
C1 Na1 N6 C27 -104.1(4) . . . . ?
C14 Na1 N6 C27 8.5(4) . . . . ?
N1 Na1 N6 C27 -89.6(4) . . . . ?
C13 Na1 N6 C27 37.5(4) . . . . ?
C4 Na1 N6 C27 -119.9(4) . . . . ?
C2 Na1 N6 C27 -133.5(4) . . . . ?
C3 Na1 N6 C27 -148.2(3) . . . . ?
C4 N1 C1 C2 -0.2(4) . . . . ?
Zn1 N1 C1 C2 140.4(3) . . . . ?
Na2 N1 C1 C2 71.7(3) 2_655 . . . ?
Na1 N1 C1 C2 -71.3(3) . . . . ?
C4 N1 C1 Na2 -71.9(2) . . . 2_655 ?
Zn1 N1 C1 Na2 68.7(3) . . . 2_655 ?
Na1 N1 C1 Na2 -142.99(12) . . . 2_655 ?
C4 N1 C1 Na1 71.1(2) . . . . ?
Zn1 N1 C1 Na1 -148.3(3) . . . . ?
Na2 N1 C1 Na1 142.99(12) 2_655 . . . ?
N5 Na1 C1 N1 -127.4(2) . . . . ?
N6 Na1 C1 N1 155.0(2) . . . . ?
C14 Na1 C1 N1 54.3(2) . . . . ?
C13 Na1 C1 N1 30.9(3) . . . . ?
C4 Na1 C1 N1 -37.62(19) . . . . ?
C2 Na1 C1 N1 -115.3(3) . . . . ?
C3 Na1 C1 N1 -77.3(2) . . . . ?
N5 Na1 C1 C2 -12.1(3) . . . . ?
N6 Na1 C1 C2 -89.7(2) . . . . ?
C14 Na1 C1 C2 169.6(2) . . . . ?
N1 Na1 C1 C2 115.3(3) . . . . ?
C13 Na1 C1 C2 146.2(2) . . . . ?
C4 Na1 C1 C2 77.7(3) . . . . ?
C3 Na1 C1 C2 38.0(2) . . . . ?
N5 Na1 C1 Na2 -73.0(3) . . . 2_655 ?
N6 Na1 C1 Na2 -150.6(2) . . . 2_655 ?
C14 Na1 C1 Na2 108.7(2) . . . 2_655 ?
N1 Na1 C1 Na2 54.4(2) . . . 2_655 ?
C13 Na1 C1 Na2 85.3(3) . . . 2_655 ?
C4 Na1 C1 Na2 16.76(17) . . . 2_655 ?
C2 Na1 C1 Na2 -60.9(3) . . . 2_655 ?
C3 Na1 C1 Na2 -22.89(18) . . . 2_655 ?
N1 C1 C2 C3 -0.2(4) . . . . ?
Na2 C1 C2 C3 69.8(3) 2_655 . . . ?
Na1 C1 C2 C3 -70.4(3) . . . . ?
N1 C1 C2 Na2 -70.0(3) . . . 2_655 ?
Na1 C1 C2 Na2 -140.19(13) . . . 2_655 ?
N1 C1 C2 Na1 70.2(3) . . . . ?
Na2 C1 C2 Na1 140.19(13) 2_655 . . . ?
N5 Na1 C2 C1 170.2(2) . . . . ?
N6 Na1 C2 C1 94.3(2) . . . . ?
C14 Na1 C2 C1 -15.1(3) . . . . ?
N1 Na1 C2 C1 -36.1(2) . . . . ?
C13 Na1 C2 C1 -65.8(4) . . . . ?
C4 Na1 C2 C1 -74.9(2) . . . . ?
C3 Na1 C2 C1 -111.5(3) . . . . ?
N5 Na1 C2 C3 -78.2(2) . . . . ?
N6 Na1 C2 C3 -154.1(2) . . . . ?
C1 Na1 C2 C3 111.5(3) . . . . ?
C14 Na1 C2 C3 96.5(3) . . . . ?
N1 Na1 C2 C3 75.4(2) . . . . ?
C13 Na1 C2 C3 45.8(4) . . . . ?
C4 Na1 C2 C3 36.7(2) . . . . ?
N5 Na1 C2 Na2 -140.6(2) . . . 2_655 ?
N6 Na1 C2 Na2 143.5(2) . . . 2_655 ?
C1 Na1 C2 Na2 49.2(2) . . . 2_655 ?
C14 Na1 C2 Na2 34.1(3) . . . 2_655 ?
N1 Na1 C2 Na2 13.05(15) . . . 2_655 ?
C13 Na1 C2 Na2 -16.6(4) . . . 2_655 ?
C4 Na1 C2 Na2 -25.73(16) . . . 2_655 ?
C3 Na1 C2 Na2 -62.4(2) . . . 2_655 ?
C1 C2 C3 C4 0.4(4) . . . . ?
Na2 C2 C3 C4 66.1(3) 2_655 . . . ?
Na1 C2 C3 C4 -67.1(3) . . . . ?
C1 C2 C3 Na2 -65.7(3) . . . 2_655 ?
Na1 C2 C3 Na2 -133.24(12) . . . 2_655 ?
C1 C2 C3 Na1 67.5(3) . . . . ?
Na2 C2 C3 Na1 133.24(12) 2_655 . . . ?
N5 Na1 C3 C4 -142.3(2) . . . . ?
N6 Na1 C3 C4 144.5(2) . . . . ?
C1 Na1 C3 C4 75.6(2) . . . . ?
C14 Na1 C3 C4 -2.2(3) . . . . ?
N1 Na1 C3 C4 35.7(2) . . . . ?
C13 Na1 C3 C4 -42.6(3) . . . . ?
C2 Na1 C3 C4 113.4(3) . . . . ?
N5 Na1 C3 C2 104.3(2) . . . . ?
N6 Na1 C3 C2 31.0(3) . . . . ?
C1 Na1 C3 C2 -37.9(2) . . . . ?
C14 Na1 C3 C2 -115.7(3) . . . . ?
N1 Na1 C3 C2 -77.8(2) . . . . ?
C13 Na1 C3 C2 -156.1(2) . . . . ?
C4 Na1 C3 C2 -113.4(3) . . . . ?
N5 Na1 C3 Na2 160.56(18) . . . 2_655 ?
N6 Na1 C3 Na2 87.3(2) . . . 2_655 ?
C1 Na1 C3 Na2 18.42(14) . . . 2_655 ?
C14 Na1 C3 Na2 -59.4(3) . . . 2_655 ?
N1 Na1 C3 Na2 -21.50(13) . . . 2_655 ?
C13 Na1 C3 Na2 -99.8(2) . . . 2_655 ?
C4 Na1 C3 Na2 -57.2(2) . . . 2_655 ?
C2 Na1 C3 Na2 56.3(2) . . . 2_655 ?
C1 N1 C4 C3 0.5(4) . . . . ?
Zn1 N1 C4 C3 -152.1(2) . . . . ?
Na2 N1 C4 C3 -68.2(3) 2_655 . . . ?
Na1 N1 C4 C3 69.6(3) . . . . ?
C1 N1 C4 C5 179.8(3) . . . . ?
Zn1 N1 C4 C5 27.2(4) . . . . ?
Na2 N1 C4 C5 111.2(3) 2_655 . . . ?
Na1 N1 C4 C5 -111.1(3) . . . . ?
C1 N1 C4 Na2 68.6(2) . . . 2_655 ?
Zn1 N1 C4 Na2 -83.94(14) . . . 2_655 ?
Na1 N1 C4 Na2 137.72(10) . . . 2_655 ?
C1 N1 C4 Na1 -69.1(2) . . . . ?
Zn1 N1 C4 Na1 138.34(15) . . . . ?
Na2 N1 C4 Na1 -137.72(10) 2_655 . . . ?
C2 C3 C4 N1 -0.6(4) . . . . ?
Na2 C3 C4 N1 65.2(2) 2_655 . . . ?
Na1 C3 C4 N1 -67.6(2) . . . . ?
C2 C3 C4 C5 -179.8(4) . . . . ?
Na2 C3 C4 C5 -114.1(4) 2_655 . . . ?
Na1 C3 C4 C5 113.1(4) . . . . ?
C2 C3 C4 Na2 -65.8(3) . . . 2_655 ?
Na1 C3 C4 Na2 -132.80(12) . . . 2_655 ?
C2 C3 C4 Na1 67.0(3) . . . . ?
Na2 C3 C4 Na1 132.80(12) 2_655 . . . ?
N5 Na1 C4 N1 157.5(2) . . . . ?
N6 Na1 C4 N1 60.0(3) . . . . ?
C1 Na1 C4 N1 38.46(19) . . . . ?
C14 Na1 C4 N1 -66.2(2) . . . . ?
C13 Na1 C4 N1 -97.6(2) . . . . ?
C2 Na1 C4 N1 78.3(2) . . . . ?
C3 Na1 C4 N1 115.5(3) . . . . ?
N5 Na1 C4 C3 42.0(3) . . . . ?
N6 Na1 C4 C3 -55.5(3) . . . . ?
C1 Na1 C4 C3 -77.0(2) . . . . ?
C14 Na1 C4 C3 178.4(2) . . . . ?
N1 Na1 C4 C3 -115.5(3) . . . . ?
C13 Na1 C4 C3 147.0(2) . . . . ?
C2 Na1 C4 C3 -37.2(2) . . . . ?
N5 Na1 C4 C5 -86.7(3) . . . . ?
N6 Na1 C4 C5 175.8(3) . . . . ?
C1 Na1 C4 C5 154.3(3) . . . . ?
C14 Na1 C4 C5 49.7(3) . . . . ?
N1 Na1 C4 C5 115.8(3) . . . . ?
C13 Na1 C4 C5 18.3(3) . . . . ?
C2 Na1 C4 C5 -165.8(3) . . . . ?
C3 Na1 C4 C5 -128.7(4) . . . . ?
N5 Na1 C4 Na2 104.7(2) . . . 2_655 ?
N6 Na1 C4 Na2 7.2(3) . . . 2_655 ?
C1 Na1 C4 Na2 -14.34(15) . . . 2_655 ?
C14 Na1 C4 Na2 -118.96(18) . . . 2_655 ?
N1 Na1 C4 Na2 -52.80(19) . . . 2_655 ?
C13 Na1 C4 Na2 -150.35(17) . . . 2_655 ?
C2 Na1 C4 Na2 25.52(16) . . . 2_655 ?
C3 Na1 C4 Na2 62.7(2) . . . 2_655 ?
C6 N2 C5 C4 -120.1(3) . . . . ?
Zn1 N2 C5 C4 14.2(3) . . . . ?
Zn2 N2 C5 C4 108.3(3) . . . . ?
N1 C4 C5 N2 -29.1(4) . . . . ?
C3 C4 C5 N2 150.1(4) . . . . ?
Na2 C4 C5 N2 54.8(3) 2_655 . . . ?
Na1 C4 C5 N2 -115.0(3) . . . . ?
C5 N2 C6 C9 177.6(3) . . . . ?
Zn1 N2 C6 C9 48.3(4) . . . . ?
Zn2 N2 C6 C9 -54.6(3) . . . . ?
C5 N2 C6 C7 -64.1(4) . . . . ?
Zn1 N2 C6 C7 166.6(2) . . . . ?
Zn2 N2 C6 C7 63.7(3) . . . . ?
C5 N2 C6 C8 58.8(4) . . . . ?
Zn1 N2 C6 C8 -70.5(4) . . . . ?
Zn2 N2 C6 C8 -173.4(2) . . . . ?
N2 Zn1 C10 C11 147.6(3) . . . . ?
N1 Zn1 C10 C11 52.5(3) . . . . ?
N4 Zn1 C10 C11 -82.8(3) . . . . ?
Zn2 Zn1 C10 C11 -150.8(2) . . . . ?
Na2 Zn1 C10 C11 81.1(3) 2_655 . . . ?
N2 Zn1 C10 Na2 66.54(15) . . . 2_655 ?
N1 Zn1 C10 Na2 -28.65(13) . . . 2_655 ?
N4 Zn1 C10 Na2 -163.90(11) . . . 2_655 ?
Zn2 Zn1 C10 Na2 128.14(16) . . . 2_655 ?
C15 N3 C12 C13 -1.0(4) . . . . ?
Zn2 N3 C12 C13 -173.1(3) . . . . ?
Na2 N3 C12 C13 65.0(3) . . . . ?
C15 N3 C12 Na2 -66.1(3) . . . . ?
Zn2 N3 C12 Na2 121.9(3) . . . . ?
C13 Na2 C12 N3 114.7(4) . . . . ?
C1 Na2 C12 N3 -80.4(2) 2_645 . . . ?
N1 Na2 C12 N3 -101.0(3) 2_645 . . . ?
C14 Na2 C12 N3 74.5(2) . . . . ?
C2 Na2 C12 N3 -47.8(3) 2_645 . . . ?
C4 Na2 C12 N3 -54.8(5) 2_645 . . . ?
C3 Na2 C12 N3 -25.0(3) 2_645 . . . ?
C15 Na2 C12 N3 35.0(2) . . . . ?
C10 Na2 C12 N3 -171.8(2) 2_645 . . . ?
Zn1 Na2 C12 N3 -157.94(18) 2_645 . . . ?
C1 Na2 C12 C13 164.9(2) 2_645 . . . ?
N1 Na2 C12 C13 144.3(3) 2_645 . . . ?
C14 Na2 C12 C13 -40.2(2) . . . . ?
C2 Na2 C12 C13 -162.5(2) 2_645 . . . ?
C4 Na2 C12 C13 -169.4(4) 2_645 . . . ?
C3 Na2 C12 C13 -139.7(3) 2_645 . . . ?
C15 Na2 C12 C13 -79.7(3) . . . . ?
N3 Na2 C12 C13 -114.7(4) . . . . ?
C10 Na2 C12 C13 73.5(3) 2_645 . . . ?
Zn1 Na2 C12 C13 87.4(3) 2_645 . . . ?
N3 C12 C13 C14 0.7(4) . . . . ?
Na2 C12 C13 C14 74.2(3) . . . . ?
N3 C12 C13 Na2 -73.5(3) . . . . ?
N3 C12 C13 Na1 75.5(3) . . . . ?
Na2 C12 C13 Na1 149.05(18) . . . . ?
C1 Na2 C13 C12 -22.9(4) 2_645 . . . ?
N1 Na2 C13 C12 -79.1(4) 2_645 . . . ?
C14 Na2 C13 C12 109.8(3) . . . . ?
C2 Na2 C13 C12 25.4(4) 2_645 . . . ?
C4 Na2 C13 C12 161.4(6) 2_645 . . . ?
C3 Na2 C13 C12 75.5(4) 2_645 . . . ?
C15 Na2 C13 C12 71.9(2) . . . . ?
N3 Na2 C13 C12 35.0(2) . . . . ?
C10 Na2 C13 C12 -107.5(2) 2_645 . . . ?
Zn1 Na2 C13 C12 -115.9(2) 2_645 . . . ?
C1 Na2 C13 C14 -132.7(3) 2_645 . . . ?
N1 Na2 C13 C14 171.1(3) 2_645 . . . ?
C2 Na2 C13 C14 -84.4(3) 2_645 . . . ?
C4 Na2 C13 C14 51.6(8) 2_645 . . . ?
C12 Na2 C13 C14 -109.8(3) . . . . ?
C3 Na2 C13 C14 -34.3(4) 2_645 . . . ?
C15 Na2 C13 C14 -37.9(2) . . . . ?
N3 Na2 C13 C14 -74.8(2) . . . . ?
C10 Na2 C13 C14 142.7(2) 2_645 . . . ?
Zn1 Na2 C13 C14 134.3(2) 2_645 . . . ?
C1 Na2 C13 Na1 -114.1(4) 2_645 . . . ?
N1 Na2 C13 Na1 -170.3(2) 2_645 . . . ?
C14 Na2 C13 Na1 18.7(3) . . . . ?
C2 Na2 C13 Na1 -65.7(5) 2_645 . . . ?
C4 Na2 C13 Na1 70.2(8) 2_645 . . . ?
C12 Na2 C13 Na1 -91.1(4) . . . . ?
C3 Na2 C13 Na1 -15.7(6) 2_645 . . . ?
C15 Na2 C13 Na1 -19.2(3) . . . . ?
N3 Na2 C13 Na1 -56.1(3) . . . . ?
C10 Na2 C13 Na1 161.4(4) 2_645 . . . ?
Zn1 Na2 C13 Na1 153.0(3) 2_645 . . . ?
N5 Na1 C13 C12 105.1(3) . . . . ?
N6 Na1 C13 C12 -178.5(3) . . . . ?
C1 Na1 C13 C12 -57.6(3) . . . . ?
C14 Na1 C13 C12 -105.1(4) . . . . ?
N1 Na1 C13 C12 -42.3(3) . . . . ?
C4 Na1 C13 C12 -12.2(3) . . . . ?
C2 Na1 C13 C12 -19.3(5) . . . . ?
C3 Na1 C13 C12 7.7(3) . . . . ?
N5 Na1 C13 C14 -149.8(2) . . . . ?
N6 Na1 C13 C14 -73.4(3) . . . . ?
C1 Na1 C13 C14 47.5(3) . . . . ?
N1 Na1 C13 C14 62.8(3) . . . . ?
C4 Na1 C13 C14 92.9(2) . . . . ?
C2 Na1 C13 C14 85.9(4) . . . . ?
C3 Na1 C13 C14 112.9(3) . . . . ?
N5 Na1 C13 Na2 -168.9(4) . . . . ?
N6 Na1 C13 Na2 -92.5(4) . . . . ?
C1 Na1 C13 Na2 28.4(5) . . . . ?
C14 Na1 C13 Na2 -19.1(3) . . . . ?
N1 Na1 C13 Na2 43.7(4) . . . . ?
C4 Na1 C13 Na2 73.8(4) . . . . ?
C2 Na1 C13 Na2 66.8(5) . . . . ?
C3 Na1 C13 Na2 93.7(4) . . . . ?
C12 C13 C14 C15 -0.1(4) . . . . ?
Na2 C13 C14 C15 75.8(3) . . . . ?
Na1 C13 C14 C15 -94.4(3) . . . . ?
C12 C13 C14 Na2 -75.8(3) . . . . ?
Na1 C13 C14 Na2 -170.21(14) . . . . ?
C12 C13 C14 Na1 94.4(3) . . . . ?
Na2 C13 C14 Na1 170.21(14) . . . . ?
C13 Na2 C14 C15 -109.2(4) . . . . ?
C1 Na2 C14 C15 -12.0(5) 2_645 . . . ?
N1 Na2 C14 C15 91.7(8) 2_645 . . . ?
C2 Na2 C14 C15 15.3(3) 2_645 . . . ?
C4 Na2 C14 C15 84.7(3) 2_645 . . . ?
C12 Na2 C14 C15 -70.8(2) . . . . ?
C3 Na2 C14 C15 52.1(3) 2_645 . . . ?
N3 Na2 C14 C15 -33.1(2) . . . . ?
C10 Na2 C14 C15 -150.1(2) 2_645 . . . ?
Zn1 Na2 C14 C15 179.82(19) 2_645 . . . ?
C1 Na2 C14 C13 97.2(4) 2_645 . . . ?
N1 Na2 C14 C13 -159.1(7) 2_645 . . . ?
C2 Na2 C14 C13 124.6(3) 2_645 . . . ?
C4 Na2 C14 C13 -166.1(2) 2_645 . . . ?
C12 Na2 C14 C13 38.4(2) . . . . ?
C3 Na2 C14 C13 161.3(2) 2_645 . . . ?
C15 Na2 C14 C13 109.2(4) . . . . ?
N3 Na2 C14 C13 76.1(2) . . . . ?
C10 Na2 C14 C13 -40.8(3) 2_645 . . . ?
Zn1 Na2 C14 C13 -71.0(3) 2_645 . . . ?
C13 Na2 C14 Na1 -17.2(2) . . . . ?
C1 Na2 C14 Na1 80.0(4) 2_645 . . . ?
N1 Na2 C14 Na1 -176.3(6) 2_645 . . . ?
C2 Na2 C14 Na1 107.3(3) 2_645 . . . ?
C4 Na2 C14 Na1 176.7(2) 2_645 . . . ?
C12 Na2 C14 Na1 21.2(2) . . . . ?
C3 Na2 C14 Na1 144.1(3) 2_645 . . . ?
C15 Na2 C14 Na1 92.0(4) . . . . ?
N3 Na2 C14 Na1 58.9(3) . . . . ?
C10 Na2 C14 Na1 -58.0(3) 2_645 . . . ?
Zn1 Na2 C14 Na1 -88.2(3) 2_645 . . . ?
N5 Na1 C14 C15 140.0(3) . . . . ?
N6 Na1 C14 C15 -143.2(3) . . . . ?
C1 Na1 C14 C15 -41.6(3) . . . . ?
N1 Na1 C14 C15 -18.1(3) . . . . ?
C13 Na1 C14 C15 103.9(4) . . . . ?
C4 Na1 C14 C15 8.0(3) . . . . ?
C2 Na1 C14 C15 -33.8(4) . . . . ?
C3 Na1 C14 C15 9.1(4) . . . . ?
N5 Na1 C14 C13 36.1(3) . . . . ?
N6 Na1 C14 C13 112.9(2) . . . . ?
C1 Na1 C14 C13 -145.5(2) . . . . ?
N1 Na1 C14 C13 -122.0(2) . . . . ?
C4 Na1 C14 C13 -95.9(2) . . . . ?
C2 Na1 C14 C13 -137.7(3) . . . . ?
C3 Na1 C14 C13 -94.8(3) . . . . ?
N5 Na1 C14 Na2 52.7(4) . . . . ?
N6 Na1 C14 Na2 129.5(3) . . . . ?
C1 Na1 C14 Na2 -128.9(3) . . . . ?
N1 Na1 C14 Na2 -105.4(3) . . . . ?
C13 Na1 C14 Na2 16.7(2) . . . . ?
C4 Na1 C14 Na2 -79.3(3) . . . . ?
C2 Na1 C14 Na2 -121.0(3) . . . . ?
C3 Na1 C14 Na2 -78.2(3) . . . . ?
C12 N3 C15 C14 1.0(4) . . . . ?
Zn2 N3 C15 C14 175.6(2) . . . . ?
Na2 N3 C15 C14 -61.2(3) . . . . ?
C12 N3 C15 C16 -179.4(3) . . . . ?
Zn2 N3 C15 C16 -4.8(4) . . . . ?
Na2 N3 C15 C16 118.4(3) . . . . ?
C12 N3 C15 Na2 62.2(2) . . . . ?
Zn2 N3 C15 Na2 -123.20(17) . . . . ?
C13 C14 C15 N3 -0.6(4) . . . . ?
Na2 C14 C15 N3 66.7(3) . . . . ?
Na1 C14 C15 N3 -78.9(3) . . . . ?
C13 C14 C15 C16 179.8(4) . . . . ?
Na2 C14 C15 C16 -112.8(4) . . . . ?
Na1 C14 C15 C16 101.5(4) . . . . ?
C13 C14 C15 Na2 -67.3(3) . . . . ?
Na1 C14 C15 Na2 -145.67(19) . . . . ?
C13 Na2 C15 N3 -77.1(2) . . . . ?
C1 Na2 C15 N3 55.3(2) 2_645 . . . ?
N1 Na2 C15 N3 81.2(3) 2_645 . . . ?
C14 Na2 C15 N3 -118.1(3) . . . . ?
C2 Na2 C15 N3 74.1(2) 2_645 . . . ?
C4 Na2 C15 N3 117.6(2) 2_645 . . . ?
C12 Na2 C15 N3 -36.0(2) . . . . ?
C3 Na2 C15 N3 104.6(2) 2_645 . . . ?
C10 Na2 C15 N3 -76.3(3) 2_645 . . . ?
Zn1 Na2 C15 N3 -118.8(6) 2_645 . . . ?
C13 Na2 C15 C14 41.0(3) . . . . ?
C1 Na2 C15 C14 173.5(2) 2_645 . . . ?
N1 Na2 C15 C14 -160.7(3) 2_645 . . . ?
C2 Na2 C15 C14 -167.8(3) 2_645 . . . ?
C4 Na2 C15 C14 -124.2(3) 2_645 . . . ?
C12 Na2 C15 C14 82.1(3) . . . . ?
C3 Na2 C15 C14 -137.3(2) 2_645 . . . ?
N3 Na2 C15 C14 118.1(3) . . . . ?
C10 Na2 C15 C14 41.8(3) 2_645 . . . ?
Zn1 Na2 C15 C14 -0.7(7) 2_645 . . . ?
C13 Na2 C15 C16 163.8(4) . . . . ?
C1 Na2 C15 C16 -63.7(3) 2_645 . . . ?
N1 Na2 C15 C16 -37.8(4) 2_645 . . . ?
C14 Na2 C15 C16 122.9(4) . . . . ?
C2 Na2 C15 C16 -44.9(3) 2_645 . . . ?
C4 Na2 C15 C16 -1.4(4) 2_645 . . . ?
C12 Na2 C15 C16 -155.0(3) . . . . ?
C3 Na2 C15 C16 -14.4(3) 2_645 . . . ?
N3 Na2 C15 C16 -119.0(4) . . . . ?
C10 Na2 C15 C16 164.7(3) 2_645 . . . ?
Zn1 Na2 C15 C16 122.2(6) 2_645 . . . ?
C17 N4 C16 C15 -149.8(3) . . . . ?
Zn2 N4 C16 C15 -9.9(4) . . . . ?
Zn1 N4 C16 C15 83.0(3) . . . . ?
N3 C15 C16 N4 10.2(5) . . . . ?
C14 C15 C16 N4 -170.3(3) . . . . ?
Na2 C15 C16 N4 103.8(3) . . . . ?
C16 N4 C17 C19 -177.2(3) . . . . ?
Zn2 N4 C17 C19 47.2(4) . . . . ?
Zn1 N4 C17 C19 -52.7(3) . . . . ?
C16 N4 C17 C18 -55.7(4) . . . . ?
Zn2 N4 C17 C18 168.7(2) . . . . ?
Zn1 N4 C17 C18 68.8(3) . . . . ?
C16 N4 C17 C20 65.9(4) . . . . ?
Zn2 N4 C17 C20 -69.7(4) . . . . ?
Zn1 N4 C17 C20 -169.6(3) . . . . ?
N3 Zn2 C21 C22 37.3(4) . . . . ?
N4 Zn2 C21 C22 141.7(3) . . . . ?
N2 Zn2 C21 C22 -90.1(3) . . . . ?
Zn1 Zn2 C21 C22 -150.4(2) . . . . ?
C23 N5 C25 C26 83.4(8) . . . . ?
C24 N5 C25 C26 -155.1(7) . . . . ?
Na1 N5 C25 C26 -34.5(8) . . . . ?
N5 C25 C26 N6 55.4(10) . . . . ?
C28 N6 C26 C25 83.2(8) . . . . ?
C27 N6 C26 C25 -159.9(7) . . . . ?
Na1 N6 C26 C25 -39.5(8) . . . . ?
C34 C29 C30 C31 1.9(8) . . . . ?
C35 C29 C30 C31 -176.8(5) . . . . ?
C29 C30 C31 C32 -1.2(8) . . . . ?
C30 C31 C32 C33 0.3(8) . . . . ?
C31 C32 C33 C34 0.0(8) . . . . ?
C32 C33 C34 C29 0.7(8) . . . . ?
C30 C29 C34 C33 -1.7(7) . . . . ?
C35 C29 C34 C33 177.1(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        25.04
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         2.126
_refine_diff_density_min         -0.904
_refine_diff_density_rms         0.117

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 0.000 0.000 0.000 233 36 ' '
2 0.000 0.500 0.500 233 36 ' '
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1523786'
_audit_update_record             
;
2016-12-21 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H70 Li2 N8 Zn2'
_chemical_formula_weight         735.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.449(3)
_cell_length_b                   21.793(6)
_cell_length_c                   17.029(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.983(6)
_cell_angle_gamma                90.00
_cell_volume                     4233(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    253(2)
_cell_measurement_reflns_used    4858
_cell_measurement_theta_min      2.265
_cell_measurement_theta_max      23.932

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.154
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1584
_exptl_absorpt_coefficient_mu    1.164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7215
_exptl_absorpt_correction_T_max  0.8006
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      253(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22970
_diffrn_reflns_av_R_equivalents  0.0841
_diffrn_reflns_av_sigmaI/netI    0.0978
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.52
_diffrn_reflns_theta_max         25.05
_reflns_number_total             7486
_reflns_number_gt                5572
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0387P)²+2.8272P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7486
_refine_ls_number_parameters     431
_refine_ls_number_restraints     86
_refine_ls_R_factor_all          0.0748
_refine_ls_R_factor_gt           0.0525
_refine_ls_wR_factor_ref         0.1546
_refine_ls_wR_factor_gt          0.1397
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_restrained_S_all      1.153
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.76284(4) 0.34346(2) 0.39221(3) 0.03788(17) Uani 1 1 d . . .
Zn2 Zn 0.78612(4) 0.21401(2) 0.36038(3) 0.03728(17) Uani 1 1 d . . .
N1 N 0.8808(3) 0.34209(15) 0.4928(2) 0.0395(8) Uani 1 1 d . . .
N3 N 0.9583(3) 0.20758(16) 0.4116(2) 0.0403(8) Uani 1 1 d . . .
N2 N 0.6951(3) 0.26382(15) 0.44376(19) 0.0351(8) Uani 1 1 d . . .
N4 N 0.8510(3) 0.29343(15) 0.30752(19) 0.0372(8) Uani 1 1 d . . .
C17 C 0.8175(4) 0.3048(2) 0.2224(2) 0.0453(11) Uani 1 1 d . . .
C16 C 0.9802(4) 0.2985(2) 0.3251(3) 0.0464(11) Uani 1 1 d . . .
H16A H 0.9988 0.3390 0.3461 0.056 Uiso 1 1 calc R . .
H16B H 1.0174 0.2943 0.2763 0.056 Uiso 1 1 calc R . .
N5 N 0.8447(4) 0.4862(2) 0.8596(3) 0.0707(13) Uani 1 1 d U . .
C6 C 0.5658(3) 0.2547(2) 0.4432(3) 0.0404(10) Uani 1 1 d . . .
C5 C 0.7521(4) 0.2549(2) 0.5249(2) 0.0428(10) Uani 1 1 d . . .
H5A H 0.7810 0.2131 0.5299 0.051 Uiso 1 1 calc R . .
H5B H 0.6939 0.2603 0.5624 0.051 Uiso 1 1 calc R . .
C4 C 0.8524(4) 0.29843(19) 0.5453(2) 0.0376(10) Uani 1 1 d . . .
C12 C 1.0285(4) 0.1716(2) 0.4624(3) 0.0489(11) Uani 1 1 d . . .
H12 H 1.0017 0.1357 0.4904 0.059 Uiso 1 1 calc R . .
C2 C 1.0089(4) 0.3499(2) 0.6020(3) 0.0543(13) Uani 1 1 d . . .
H2 H 1.0696 0.3660 0.6406 0.065 Uiso 1 1 calc R . .
C8 C 0.5355(4) 0.1913(2) 0.4751(3) 0.0570(13) Uani 1 1 d . . .
H8A H 0.5679 0.1600 0.4439 0.085 Uiso 1 1 calc R . .
H8B H 0.4518 0.1867 0.4726 0.085 Uiso 1 1 calc R . .
H8C H 0.5676 0.1876 0.5289 0.085 Uiso 1 1 calc R . .
N6 N 0.6318(5) 0.5597(3) 0.8376(3) 0.0895(16) Uani 1 1 d U . .
C14 C 1.1454(4) 0.2434(2) 0.4159(3) 0.0504(12) Uani 1 1 d . . .
H14 H 1.2152 0.2646 0.4004 0.061 Uiso 1 1 calc R . .
C3 C 0.9290(4) 0.3012(2) 0.6136(3) 0.0480(11) Uani 1 1 d . . .
H3 H 0.9226 0.2781 0.6624 0.058 Uiso 1 1 calc R . .
C13 C 1.1436(4) 0.1925(2) 0.4667(3) 0.0549(13) Uani 1 1 d . . .
H13 H 1.2116 0.1732 0.4958 0.066 Uiso 1 1 calc R . .
N8 N 0.6311(5) 0.4180(2) 0.7148(3) 0.0759(13) Uani 1 1 d U . .
C15 C 1.0302(3) 0.2513(2) 0.3826(3) 0.0407(10) Uani 1 1 d . . .
C7 C 0.5074(4) 0.3045(2) 0.4912(3) 0.0520(12) Uani 1 1 d . . .
H7A H 0.5394 0.3028 0.5452 0.078 Uiso 1 1 calc R . .
H7B H 0.4244 0.2974 0.4885 0.078 Uiso 1 1 calc R . .
H7C H 0.5221 0.3442 0.4697 0.078 Uiso 1 1 calc R . .
C1 C 0.9759(4) 0.3737(2) 0.5285(3) 0.0492(11) Uani 1 1 d . . .
H1 H 1.0130 0.4091 0.5053 0.059 Uiso 1 1 calc R . .
N7 N 0.7550(5) 0.5213(3) 0.6474(3) 0.0832(14) Uani 1 1 d U . .
C21 C 0.7254(4) 0.1344(2) 0.3107(3) 0.0521(12) Uani 1 1 d . . .
H21A H 0.6407 0.1365 0.3019 0.062 Uiso 1 1 calc R . .
H21B H 0.7563 0.1297 0.2597 0.062 Uiso 1 1 calc R . .
C20 C 0.6837(4) 0.3010(2) 0.2081(3) 0.0549(12) Uani 1 1 d . . .
H20A H 0.6583 0.2602 0.2194 0.082 Uiso 1 1 calc R . .
H20B H 0.6602 0.3108 0.1541 0.082 Uiso 1 1 calc R . .
H20C H 0.6487 0.3297 0.2419 0.082 Uiso 1 1 calc R . .
C9 C 0.5108(4) 0.2599(3) 0.3578(3) 0.0583(13) Uani 1 1 d . . .
H9A H 0.5304 0.2989 0.3365 0.087 Uiso 1 1 calc R . .
H9B H 0.4272 0.2562 0.3570 0.087 Uiso 1 1 calc R . .
H9C H 0.5406 0.2277 0.3266 0.087 Uiso 1 1 calc R . .
C10 C 0.6862(4) 0.4265(2) 0.3723(3) 0.0538(12) Uani 1 1 d . . .
H10A H 0.6403 0.4254 0.3217 0.065 Uiso 1 1 calc R . .
H10B H 0.6327 0.4338 0.4124 0.065 Uiso 1 1 calc R . .
C18 C 0.8679(5) 0.2558(3) 0.1691(3) 0.0631(14) Uani 1 1 d . . .
H18A H 0.9520 0.2575 0.1750 0.095 Uiso 1 1 calc R . .
H18B H 0.8408 0.2637 0.1151 0.095 Uiso 1 1 calc R . .
H18C H 0.8423 0.2158 0.1839 0.095 Uiso 1 1 calc R . .
C19 C 0.8572(5) 0.3686(3) 0.1962(3) 0.0684(15) Uani 1 1 d . . .
H19A H 0.8234 0.3996 0.2272 0.103 Uiso 1 1 calc R . .
H19B H 0.8317 0.3746 0.1415 0.103 Uiso 1 1 calc R . .
H19C H 0.9411 0.3712 0.2034 0.103 Uiso 1 1 calc R . .
Li2 Li 0.7144(7) 0.4959(3) 0.7619(5) 0.0489(18) Uani 1 1 d . . .
C11 C 0.7732(5) 0.4806(2) 0.3724(4) 0.0742(16) Uani 1 1 d . . .
H11A H 0.8218 0.4811 0.4212 0.111 Uiso 1 1 calc R . .
H11B H 0.7304 0.5185 0.3665 0.111 Uiso 1 1 calc R . .
H11C H 0.8215 0.4760 0.3294 0.111 Uiso 1 1 calc R . .
C24 C 0.7084(6) 0.5598(3) 0.9103(4) 0.097(2) Uani 1 1 d U . .
H24A H 0.6786 0.5304 0.9463 0.117 Uiso 1 1 calc R . .
H24B H 0.7052 0.6000 0.9344 0.117 Uiso 1 1 calc R . .
C31 C 0.6723(8) 0.3582(3) 0.7401(5) 0.113(3) Uani 1 1 d U . .
H31A H 0.6459 0.3492 0.7909 0.170 Uiso 1 1 calc R . .
H31B H 0.7564 0.3575 0.7436 0.170 Uiso 1 1 calc R . .
H31C H 0.6419 0.3279 0.7027 0.170 Uiso 1 1 calc R . .
C23 C 0.8327(7) 0.5447(4) 0.9006(5) 0.106(2) Uani 1 1 d U . .
H23A H 0.8667 0.5772 0.8709 0.128 Uiso 1 1 calc R . .
H23B H 0.8760 0.5427 0.9520 0.128 Uiso 1 1 calc R . .
C33 C 0.8832(7) 0.5145(3) 0.6401(5) 0.109(2) Uani 1 1 d U . .
H33A H 0.9099 0.4762 0.6630 0.163 Uiso 1 1 calc R . .
H33B H 0.9246 0.5477 0.6670 0.163 Uiso 1 1 calc R . .
H33C H 0.8976 0.5152 0.5854 0.163 Uiso 1 1 calc R . .
C27 C 0.5072(6) 0.5412(4) 0.8535(5) 0.122(3) Uani 1 1 d U . .
H27A H 0.4752 0.5713 0.8868 0.183 Uiso 1 1 calc R . .
H27B H 0.5088 0.5020 0.8793 0.183 Uiso 1 1 calc R . .
H27C H 0.4592 0.5387 0.8045 0.183 Uiso 1 1 calc R . .
C28 C 0.6223(9) 0.6186(3) 0.8050(5) 0.139(3) Uani 1 1 d U . .
H28A H 0.5918 0.6462 0.8421 0.209 Uiso 1 1 calc R . .
H28B H 0.5703 0.6176 0.7576 0.209 Uiso 1 1 calc R . .
H28C H 0.6983 0.6324 0.7928 0.209 Uiso 1 1 calc R . .
C26 C 0.9689(7) 0.4843(5) 0.8424(6) 0.151(4) Uani 1 1 d U . .
H26A H 1.0181 0.4934 0.8895 0.226 Uiso 1 1 calc R . .
H26B H 0.9821 0.5141 0.8026 0.226 Uiso 1 1 calc R . .
H26C H 0.9873 0.4441 0.8239 0.226 Uiso 1 1 calc R . .
C30 C 0.6927(9) 0.4779(4) 0.6006(5) 0.124(2) Uani 1 1 d DU . .
H30A H 0.6184 0.4962 0.5816 0.149 Uiso 1 1 calc R . .
H30B H 0.7357 0.4705 0.5549 0.149 Uiso 1 1 calc R . .
C32 C 0.5081(7) 0.4210(4) 0.7155(7) 0.162(4) Uani 1 1 d U . .
H32A H 0.4723 0.3923 0.6779 0.243 Uiso 1 1 calc R . .
H32B H 0.4818 0.4617 0.7018 0.243 Uiso 1 1 calc R . .
H32C H 0.4866 0.4109 0.7671 0.243 Uiso 1 1 calc R . .
C29 C 0.6695(9) 0.4232(4) 0.6316(5) 0.128(2) Uani 1 1 d DU . .
H29A H 0.7394 0.3983 0.6297 0.154 Uiso 1 1 calc R . .
H29B H 0.6089 0.4041 0.5964 0.154 Uiso 1 1 calc R . .
C25 C 0.8196(9) 0.4338(4) 0.9034(6) 0.151(4) Uani 1 1 d U . .
H25A H 0.8577 0.4372 0.9557 0.227 Uiso 1 1 calc R . .
H25B H 0.8476 0.3979 0.8782 0.227 Uiso 1 1 calc R . .
H25C H 0.7364 0.4306 0.9061 0.227 Uiso 1 1 calc R . .
C22 C 0.7590(5) 0.0780(2) 0.3611(4) 0.0692(15) Uani 1 1 d . . .
H22A H 0.8417 0.0787 0.3765 0.104 Uiso 1 1 calc R . .
H22B H 0.7399 0.0415 0.3311 0.104 Uiso 1 1 calc R . .
H22C H 0.7165 0.0783 0.4073 0.104 Uiso 1 1 calc R . .
C34 C 0.7199(8) 0.5831(4) 0.6170(5) 0.142(3) Uani 1 1 d U . .
H34A H 0.7390 0.5870 0.5634 0.213 Uiso 1 1 calc R . .
H34B H 0.7611 0.6140 0.6487 0.213 Uiso 1 1 calc R . .
H34C H 0.6370 0.5884 0.6191 0.213 Uiso 1 1 calc R . .
Li1 Li 1.0302(7) 0.2732(4) 0.5112(5) 0.055(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 C10 2.026(5) . ?
Zn1 N1 2.087(3) . ?
Zn1 N2 2.122(3) . ?
Zn1 N4 2.131(3) . ?
Zn1 Zn2 2.8894(10) . ?
Zn2 C21 2.027(5) . ?
Zn2 N3 2.090(4) . ?
Zn2 N4 2.115(3) . ?
Zn2 N2 2.130(3) . ?
N1 C4 1.364(5) . ?
N1 C1 1.384(5) . ?
N1 Li1 2.277(9) . ?
N3 C15 1.379(6) . ?
N3 C12 1.375(5) . ?
N3 Li1 2.315(9) . ?
N2 C5 1.488(5) . ?
N2 C6 1.493(5) . ?
N4 C16 1.488(5) . ?
N4 C17 1.488(5) . ?
C17 C20 1.533(6) . ?
C17 C19 1.540(7) . ?
C17 C18 1.545(7) . ?
C16 C15 1.498(6) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
N5 C25 1.407(9) . ?
N5 C23 1.466(8) . ?
N5 C26 1.478(9) . ?
N5 Li2 2.146(9) . ?
C6 C9 1.538(6) . ?
C6 C8 1.535(7) . ?
C6 C7 1.545(6) . ?
C5 C4 1.507(6) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C4 C3 1.396(6) . ?
C4 Li1 2.233(9) . ?
C12 C13 1.389(7) . ?
C12 Li1 2.364(10) . ?
C12 H12 0.9800 . ?
C2 C1 1.377(7) . ?
C2 C3 1.426(7) . ?
C2 Li1 2.304(9) . ?
C2 H2 0.9800 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
N6 C28 1.399(9) . ?
N6 C24 1.453(7) . ?
N6 C27 1.529(9) . ?
N6 Li2 2.168(9) . ?
C14 C15 1.400(6) . ?
C14 C13 1.408(7) . ?
C14 Li1 2.274(9) . ?
C14 H14 0.9800 . ?
C3 Li1 2.260(9) . ?
C3 H3 0.9800 . ?
C13 Li1 2.351(9) . ?
C13 H13 0.9800 . ?
N8 C32 1.410(9) . ?
N8 C31 1.439(8) . ?
N8 C29 1.524(9) . ?
N8 Li2 2.075(9) . ?
C15 Li1 2.242(9) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C1 Li1 2.302(9) . ?
C1 H1 0.9800 . ?
N7 C30 1.394(9) . ?
N7 C34 1.487(9) . ?
N7 C33 1.491(8) . ?
N7 Li2 2.116(10) . ?
C21 C22 1.529(7) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.544(7) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C24 C23 1.484(10) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C30 C29 1.339(9) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?

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
C10 Zn1 N1 112.96(17) . . ?
C10 Zn1 N2 129.13(17) . . ?
N1 Zn1 N2 83.27(13) . . ?
C10 Zn1 N4 124.54(18) . . ?
N1 Zn1 N4 103.72(13) . . ?
N2 Zn1 N4 94.20(13) . . ?
C10 Zn1 Zn2 152.37(14) . . ?
N1 Zn1 Zn2 94.38(9) . . ?
N2 Zn1 Zn2 47.32(9) . . ?
N4 Zn1 Zn2 46.89(9) . . ?
C21 Zn2 N3 113.18(17) . . ?
C21 Zn2 N4 130.03(17) . . ?
N3 Zn2 N4 83.04(13) . . ?
C21 Zn2 N2 123.01(17) . . ?
N3 Zn2 N2 104.75(13) . . ?
N4 Zn2 N2 94.41(13) . . ?
C21 Zn2 Zn1 151.69(14) . . ?
N3 Zn2 Zn1 94.94(10) . . ?
N4 Zn2 Zn1 47.34(9) . . ?
N2 Zn2 Zn1 47.07(9) . . ?
C4 N1 C1 106.4(4) . . ?
C4 N1 Zn1 112.0(3) . . ?
C1 N1 Zn1 141.4(3) . . ?
C4 N1 Li1 70.6(3) . . ?
C1 N1 Li1 73.4(3) . . ?
Zn1 N1 Li1 123.2(3) . . ?
C15 N3 C12 106.6(4) . . ?
C15 N3 Zn2 112.0(3) . . ?
C12 N3 Zn2 141.2(3) . . ?
C15 N3 Li1 69.5(3) . . ?
C12 N3 Li1 74.9(3) . . ?
Zn2 N3 Li1 121.8(2) . . ?
C5 N2 C6 110.1(3) . . ?
C5 N2 Zn1 110.1(2) . . ?
C6 N2 Zn1 120.3(3) . . ?
C5 N2 Zn2 110.5(3) . . ?
C6 N2 Zn2 118.0(2) . . ?
Zn1 N2 Zn2 85.61(12) . . ?
C16 N4 C17 110.5(3) . . ?
C16 N4 Zn2 110.8(3) . . ?
C17 N4 Zn2 118.7(3) . . ?
C16 N4 Zn1 110.3(3) . . ?
C17 N4 Zn1 118.5(3) . . ?
Zn2 N4 Zn1 85.76(12) . . ?
N4 C17 C20 108.4(3) . . ?
N4 C17 C19 112.0(4) . . ?
C20 C17 C19 108.5(4) . . ?
N4 C17 C18 112.3(4) . . ?
C20 C17 C18 106.8(4) . . ?
C19 C17 C18 108.6(4) . . ?
N4 C16 C15 113.4(3) . . ?
N4 C16 H16A 108.9 . . ?
C15 C16 H16A 108.9 . . ?
N4 C16 H16B 108.9 . . ?
C15 C16 H16B 108.9 . . ?
H16A C16 H16B 107.7 . . ?
C25 N5 C23 115.0(7) . . ?
C25 N5 C26 109.0(7) . . ?
C23 N5 C26 104.5(6) . . ?
C25 N5 Li2 109.3(5) . . ?
C23 N5 Li2 101.3(4) . . ?
C26 N5 Li2 117.7(6) . . ?
N2 C6 C9 108.7(3) . . ?
N2 C6 C8 111.9(4) . . ?
C9 C6 C8 108.3(4) . . ?
N2 C6 C7 112.2(3) . . ?
C9 C6 C7 106.7(4) . . ?
C8 C6 C7 108.8(4) . . ?
N2 C5 C4 113.3(3) . . ?
N2 C5 H5A 108.9 . . ?
C4 C5 H5A 108.9 . . ?
N2 C5 H5B 108.9 . . ?
C4 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
N1 C4 C3 110.4(4) . . ?
N1 C4 C5 120.5(4) . . ?
C3 C4 C5 129.1(4) . . ?
N1 C4 Li1 74.2(3) . . ?
C3 C4 Li1 73.0(3) . . ?
C5 C4 Li1 118.6(4) . . ?
N3 C12 C13 110.3(4) . . ?
N3 C12 Li1 71.0(3) . . ?
C13 C12 Li1 72.3(3) . . ?
N3 C12 H12 124.9 . . ?
C13 C12 H12 124.9 . . ?
Li1 C12 H12 124.9 . . ?
C1 C2 C3 106.1(4) . . ?
C1 C2 Li1 72.5(3) . . ?
C3 C2 Li1 70.1(3) . . ?
C1 C2 H2 126.8 . . ?
C3 C2 H2 126.8 . . ?
Li1 C2 H2 126.8 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C28 N6 C24 111.0(6) . . ?
C28 N6 C27 105.7(6) . . ?
C24 N6 C27 110.7(6) . . ?
C28 N6 Li2 112.0(6) . . ?
C24 N6 Li2 104.2(4) . . ?
C27 N6 Li2 113.5(5) . . ?
C15 C14 C13 106.4(4) . . ?
C15 C14 Li1 70.7(3) . . ?
C13 C14 Li1 75.3(4) . . ?
C15 C14 H14 126.4 . . ?
C13 C14 H14 126.4 . . ?
Li1 C14 H14 126.4 . . ?
C4 C3 C2 106.3(4) . . ?
C4 C3 Li1 70.8(3) . . ?
C2 C3 Li1 73.5(4) . . ?
C4 C3 H3 126.6 . . ?
C2 C3 H3 126.6 . . ?
Li1 C3 H3 126.6 . . ?
C12 C13 C14 106.9(4) . . ?
C12 C13 Li1 73.4(3) . . ?
C14 C13 Li1 69.3(3) . . ?
C12 C13 H13 126.5 . . ?
C14 C13 H13 126.5 . . ?
Li1 C13 H13 126.5 . . ?
C32 N8 C31 109.9(6) . . ?
C32 N8 C29 111.9(7) . . ?
C31 N8 C29 103.5(6) . . ?
C32 N8 Li2 112.6(5) . . ?
C31 N8 Li2 119.9(5) . . ?
C29 N8 Li2 98.0(4) . . ?
N3 C15 C14 109.8(4) . . ?
N3 C15 C16 120.1(3) . . ?
C14 C15 C16 130.0(4) . . ?
N3 C15 Li1 75.3(3) . . ?
C14 C15 Li1 73.2(3) . . ?
C16 C15 Li1 117.4(4) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C2 C1 N1 110.8(4) . . ?
C2 C1 Li1 72.7(3) . . ?
N1 C1 Li1 71.4(3) . . ?
C2 C1 H1 124.6 . . ?
N1 C1 H1 124.6 . . ?
Li1 C1 H1 124.6 . . ?
C30 N7 C34 107.8(7) . . ?
C30 N7 C33 110.1(7) . . ?
C34 N7 C33 107.4(6) . . ?
C30 N7 Li2 102.0(5) . . ?
C34 N7 Li2 118.9(5) . . ?
C33 N7 Li2 110.4(5) . . ?
C22 C21 Zn2 113.2(3) . . ?
C22 C21 H21A 108.9 . . ?
Zn2 C21 H21A 108.9 . . ?
C22 C21 H21B 108.9 . . ?
Zn2 C21 H21B 108.9 . . ?
H21A C21 H21B 107.8 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 Zn1 114.4(3) . . ?
C11 C10 H10A 108.7 . . ?
Zn1 C10 H10A 108.7 . . ?
C11 C10 H10B 108.7 . . ?
Zn1 C10 H10B 108.7 . . ?
H10A C10 H10B 107.6 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N8 Li2 N7 89.3(4) . . ?
N8 Li2 N5 119.0(4) . . ?
N7 Li2 N5 123.1(4) . . ?
N8 Li2 N6 123.1(4) . . ?
N7 Li2 N6 121.5(4) . . ?
N5 Li2 N6 84.9(3) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N6 C24 C23 114.8(6) . . ?
N6 C24 H24A 108.6 . . ?
C23 C24 H24A 108.6 . . ?
N6 C24 H24B 108.6 . . ?
C23 C24 H24B 108.6 . . ?
H24A C24 H24B 107.6 . . ?
N8 C31 H31A 109.5 . . ?
N8 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
N8 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N5 C23 C24 112.0(6) . . ?
N5 C23 H23A 109.2 . . ?
C24 C23 H23A 109.2 . . ?
N5 C23 H23B 109.2 . . ?
C24 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
N7 C33 H33A 109.5 . . ?
N7 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
N7 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N6 C27 H27A 109.5 . . ?
N6 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N6 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N6 C28 H28A 109.5 . . ?
N6 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N6 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N5 C26 H26A 109.5 . . ?
N5 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N5 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C29 C30 N7 119.2(8) . . ?
C29 C30 H30A 107.5 . . ?
N7 C30 H30A 107.5 . . ?
C29 C30 H30B 107.5 . . ?
N7 C30 H30B 107.5 . . ?
H30A C30 H30B 107.0 . . ?
N8 C32 H32A 109.5 . . ?
N8 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
N8 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C30 C29 N8 121.1(7) . . ?
C30 C29 H29A 107.1 . . ?
N8 C29 H29A 107.1 . . ?
C30 C29 H29B 107.1 . . ?
N8 C29 H29B 107.1 . . ?
H29A C29 H29B 106.8 . . ?
N5 C25 H25A 109.5 . . ?
N5 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N5 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N7 C34 H34A 109.5 . . ?
N7 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N7 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C4 Li1 C15 112.6(4) . . ?
C4 Li1 C3 36.2(2) . . ?
C15 Li1 C3 148.8(4) . . ?
C4 Li1 N1 35.20(18) . . ?
C15 Li1 N1 94.0(3) . . ?
C3 Li1 N1 59.9(2) . . ?
C4 Li1 C14 148.7(4) . . ?
C15 Li1 C14 36.1(2) . . ?
C3 Li1 C14 175.1(4) . . ?
N1 Li1 C14 124.4(4) . . ?
C4 Li1 C1 58.0(3) . . ?
C15 Li1 C1 110.5(4) . . ?
C3 Li1 C1 58.8(3) . . ?
N1 Li1 C1 35.17(18) . . ?
C14 Li1 C1 122.9(4) . . ?
C4 Li1 C2 59.7(3) . . ?
C15 Li1 C2 144.9(5) . . ?
C3 Li1 C2 36.4(2) . . ?
N1 Li1 C2 59.5(2) . . ?
C14 Li1 C2 142.0(5) . . ?
C1 Li1 C2 34.8(2) . . ?
C4 Li1 N3 93.9(3) . . ?
C15 Li1 N3 35.19(19) . . ?
C3 Li1 N3 124.0(4) . . ?
N1 Li1 N3 95.2(3) . . ?
C14 Li1 N3 59.4(2) . . ?
C1 Li1 N3 126.7(4) . . ?
C2 Li1 N3 152.6(4) . . ?
C4 Li1 C13 144.0(5) . . ?
C15 Li1 C13 58.6(3) . . ?
C3 Li1 C13 141.8(4) . . ?
N1 Li1 C13 151.4(4) . . ?
C14 Li1 C13 35.4(2) . . ?
C1 Li1 C13 156.3(5) . . ?
C2 Li1 C13 148.6(4) . . ?
N3 Li1 C13 58.1(2) . . ?
C4 Li1 C12 110.0(4) . . ?
C15 Li1 C12 57.2(3) . . ?
C3 Li1 C12 122.4(4) . . ?
N1 Li1 C12 125.9(4) . . ?
C14 Li1 C12 57.9(3) . . ?
C1 Li1 C12 160.3(4) . . ?
C2 Li1 C12 156.5(5) . . ?
N3 Li1 C12 34.15(18) . . ?
C13 Li1 C12 34.3(2) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.05
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.900
_refine_diff_density_min         -0.532
_refine_diff_density_rms         0.085
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 1523789'
_audit_update_record             
;
2016-12-21 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C124 H216 K8 N16 O9 Zn8'
_chemical_formula_weight         2910.89

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P21212

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   10.7556(8)
_cell_length_b                   14.6395(11)
_cell_length_c                   24.3304(18)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3831.0(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8150
_cell_measurement_theta_min      2.87
_cell_measurement_theta_max      27.93

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1536
_exptl_absorpt_coefficient_mu    1.500
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.6219
_exptl_absorpt_correction_T_max  0.6618
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            22661
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_av_sigmaI/netI    0.0608
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.87
_diffrn_reflns_theta_max         25.05
_reflns_number_total             6765
_reflns_number_gt                4911
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0123P)²+47.5070P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.50(2)
_refine_ls_number_reflns         6765
_refine_ls_number_parameters     392
_refine_ls_number_restraints     99
_refine_ls_R_factor_all          0.1134
_refine_ls_R_factor_gt           0.0767
_refine_ls_wR_factor_ref         0.1852
_refine_ls_wR_factor_gt          0.1638
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.002

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 0.01035(5) 0.90292(3) 0.806036(19) 0.03045(12) Uani 1 1 d . . .
Zn2 Zn 0.49442(5) 0.59720(3) 0.713626(18) 0.02712(11) Uani 1 1 d . . .
K1 K 0.0000 1.0000 0.62598(6) 0.0416(4) Uani 1 2 d S . .
K2 K 0.25673(13) 0.75305(8) 0.75943(5) 0.0440(3) Uani 1 1 d . . .
K3 K 0.5000 0.5000 0.89520(6) 0.0455(4) Uani 1 2 d S . .
N1 N 0.0651(3) 0.8847(2) 0.72444(15) 0.0277(6) Uani 1 1 d U . .
N2 N 0.1425(3) 1.0102(3) 0.80359(13) 0.0291(10) Uani 1 1 d . . .
N3 N 0.4449(4) 0.6164(2) 0.79574(16) 0.0358(12) Uani 1 1 d . . .
N4 N 0.3571(3) 0.4937(3) 0.71579(13) 0.0243(9) Uani 1 1 d . . .
O1 O -0.1287(5) 0.8941(3) 0.55671(19) 0.0905(13) Uani 1 1 d U . .
O2 O 0.3388(5) 0.4058(4) 0.9558(2) 0.0975(13) Uani 1 1 d U . .
O3 O 0.5000 1.0000 0.5724(5) 0.102(5) Uani 0.50 2 d SP . .
C1 C 0.0535(5) 0.8198(3) 0.6848(2) 0.0385(14) Uani 1 1 d . . .
H1 H -0.0125 0.7769 0.6822 0.046 Uiso 1 1 calc R . .
C2 C 0.1536(5) 0.8260(3) 0.6483(2) 0.0430(15) Uani 1 1 d . . .
H2 H 0.1690 0.7884 0.6172 0.052 Uiso 1 1 calc R . .
C3 C 0.2268(4) 0.8994(3) 0.66708(19) 0.0395(13) Uani 1 1 d . . .
H3 H 0.3013 0.9213 0.6507 0.047 Uiso 1 1 calc R . .
C4 C 0.1713(4) 0.9330(3) 0.71284(19) 0.0309(13) Uani 1 1 d . . .
C5 C 0.2037(4) 1.0151(3) 0.74947(16) 0.0298(6) Uani 1 1 d U . .
H5A H 0.2949 1.0174 0.7548 0.036 Uiso 1 1 calc R . .
H5B H 0.1780 1.0721 0.7307 0.036 Uiso 1 1 calc R . .
C6 C 0.2359(5) 1.0186(3) 0.84938(18) 0.0373(5) Uani 1 1 d U . .
C7 C 0.3060(4) 1.1097(3) 0.8475(2) 0.0458(16) Uani 1 1 d . . .
H7A H 0.3564 1.1126 0.8140 0.069 Uiso 1 1 calc R . .
H7B H 0.3602 1.1147 0.8798 0.069 Uiso 1 1 calc R . .
H7C H 0.2461 1.1602 0.8476 0.069 Uiso 1 1 calc R . .
C8 C 0.1664(5) 1.0140(3) 0.90445(17) 0.0412(11) Uani 1 1 d U . .
H8A H 0.1068 1.0645 0.9067 0.062 Uiso 1 1 calc R . .
H8B H 0.2261 1.0188 0.9347 0.062 Uiso 1 1 calc R . .
H8C H 0.1218 0.9558 0.9071 0.062 Uiso 1 1 calc R . .
C9 C 0.3296(5) 0.9396(3) 0.8476(2) 0.0452(16) Uani 1 1 d . . .
H9A H 0.2850 0.8813 0.8498 0.068 Uiso 1 1 calc R . .
H9B H 0.3870 0.9448 0.8787 0.068 Uiso 1 1 calc R . .
H9C H 0.3765 0.9422 0.8131 0.068 Uiso 1 1 calc R . .
C10 C 0.4553(5) 0.6830(3) 0.83524(19) 0.0354(14) Uani 1 1 d . . .
H10 H 0.5217 0.7257 0.8372 0.043 Uiso 1 1 calc R . .
C11 C 0.3586(6) 0.6801(3) 0.8711(2) 0.0497(17) Uani 1 1 d . . .
H11 H 0.3457 0.7187 0.9020 0.060 Uiso 1 1 calc R . .
C12 C 0.2811(5) 0.6082(3) 0.8533(2) 0.0461(15) Uani 1 1 d . . .
H12 H 0.2063 0.5883 0.8703 0.055 Uiso 1 1 calc R . .
C13 C 0.3354(4) 0.5720(3) 0.80612(18) 0.0291(12) Uani 1 1 d . . .
C14 C 0.2966(4) 0.4913(3) 0.76991(17) 0.0365(12) Uani 1 1 d . . .
H14A H 0.3186 0.4336 0.7887 0.044 Uiso 1 1 calc R . .
H14B H 0.2053 0.4924 0.7649 0.044 Uiso 1 1 calc R . .
C15 C 0.2659(4) 0.4872(3) 0.67022(17) 0.0293(12) Uani 1 1 d . . .
C16 C 0.3312(4) 0.4912(4) 0.61620(16) 0.0342(12) Uani 1 1 d . . .
H16A H 0.3788 0.5482 0.6137 0.051 Uiso 1 1 calc R . .
H16B H 0.2698 0.4891 0.5864 0.051 Uiso 1 1 calc R . .
H16C H 0.3878 0.4391 0.6129 0.051 Uiso 1 1 calc R . .
C17 C 0.1910(4) 0.3969(4) 0.6732(2) 0.0440(15) Uani 1 1 d . . .
H17A H 0.2480 0.3449 0.6702 0.066 Uiso 1 1 calc R . .
H17B H 0.1310 0.3948 0.6429 0.066 Uiso 1 1 calc R . .
H17C H 0.1465 0.3938 0.7083 0.066 Uiso 1 1 calc R . .
C18 C 0.1708(4) 0.5710(3) 0.6731(2) 0.0404(15) Uani 1 1 d . . .
H18A H 0.0893 0.5474 0.6855 0.048 Uiso 1 1 calc R . .
H18B H 0.1595 0.5952 0.6354 0.048 Uiso 1 1 calc R . .
C19 C 0.0212(5) 0.7835(3) 0.84852(17) 0.0320(13) Uani 1 1 d . . .
H19A H 0.1095 0.7709 0.8572 0.038 Uiso 1 1 calc R . .
H19B H -0.0240 0.7903 0.8837 0.038 Uiso 1 1 calc R . .
C20 C -0.0338(5) 0.7005(4) 0.8164(2) 0.0553(7) Uani 1 1 d U . .
H20A H -0.1073 0.7131 0.7931 0.066 Uiso 1 1 calc R . .
H20B H -0.0396 0.6422 0.8369 0.066 Uiso 1 1 calc R . .
C21 C 0.4919(5) 0.7153(3) 0.67070(17) 0.0323(11) Uani 1 1 d . . .
H21A H 0.5343 0.7050 0.6351 0.039 Uiso 1 1 calc R . .
H21B H 0.4043 0.7310 0.6626 0.039 Uiso 1 1 calc R . .
C22 C 0.5539(4) 0.7988(3) 0.6994(2) 0.0462(16) Uani 1 1 d . . .
H22A H 0.5064 0.8150 0.7323 0.069 Uiso 1 1 calc R . .
H22B H 0.5551 0.8508 0.6740 0.069 Uiso 1 1 calc R . .
H22C H 0.6393 0.7831 0.7098 0.069 Uiso 1 1 calc R . .
C23 C -0.0774(8) 0.8660(6) 0.5071(3) 0.1023(17) Uani 1 1 d U . .
H23A H 0.0046 0.8367 0.5126 0.123 Uiso 1 1 calc R . .
H23B H -0.0682 0.9178 0.4812 0.123 Uiso 1 1 calc R . .
C24 C -0.1733(9) 0.7977(6) 0.4867(4) 0.1150(17) Uani 1 1 d U . .
H24A H -0.2305 0.8279 0.4605 0.138 Uiso 1 1 calc R . .
H24B H -0.1311 0.7470 0.4672 0.138 Uiso 1 1 calc R . .
C25 C -0.2407(9) 0.7632(6) 0.5313(3) 0.1146(17) Uani 1 1 d U . .
H25A H -0.2186 0.6986 0.5386 0.137 Uiso 1 1 calc R . .
H25B H -0.3313 0.7676 0.5247 0.137 Uiso 1 1 calc R . .
C26 C -0.2042(9) 0.8198(6) 0.5749(3) 0.1108(17) Uani 1 1 d U . .
H26A H -0.1571 0.7832 0.6021 0.133 Uiso 1 1 calc R . .
H26B H -0.2791 0.8441 0.5934 0.133 Uiso 1 1 calc R . .
C27 C 0.2052(8) 0.4182(6) 0.9509(3) 0.1128(16) Uani 1 1 d U . .
H27A H 0.1802 0.4168 0.9118 0.135 Uiso 1 1 calc R . .
H27B H 0.1805 0.4779 0.9666 0.135 Uiso 1 1 calc R . .
C28 C 0.1428(9) 0.3413(6) 0.9821(4) 0.1201(17) Uani 1 1 d U . .
H28A H 0.1213 0.3594 1.0201 0.144 Uiso 1 1 calc R . .
H28B H 0.0674 0.3191 0.9630 0.144 Uiso 1 1 calc R . .
C29 C 0.2440(10) 0.2728(6) 0.9809(4) 0.1220(17) Uani 1 1 d U . .
H29A H 0.2360 0.2345 0.9476 0.146 Uiso 1 1 calc R . .
H29B H 0.2375 0.2325 1.0135 0.146 Uiso 1 1 calc R . .
C30 C 0.3723(9) 0.3212(6) 0.9808(4) 0.1144(17) Uani 1 1 d U . .
H30A H 0.4046 0.3300 1.0186 0.137 Uiso 1 1 calc R . .
H30B H 0.4342 0.2874 0.9587 0.137 Uiso 1 1 calc R . .
C31 C 0.4255(6) 0.9491(5) 0.5369(6) 0.0921(7) Uani 0.50 1 d PDU . .
H31A H 0.4269 0.8840 0.5480 0.110 Uiso 0.50 1 calc PR . .
H31B H 0.3385 0.9710 0.5391 0.110 Uiso 0.50 1 calc PR . .
C32 C 0.46644(9) 0.95706(4) 0.4857(5) 0.0746(7) Uani 0.50 1 d PDU . .
H32A H 0.3963 0.9587 0.4593 0.089 Uiso 0.50 1 calc PR . .
H32B H 0.5221 0.9057 0.4760 0.089 Uiso 0.50 1 calc PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 C19 2.034(4) . ?
Zn1 N2 2.079(4) 2_575 ?
Zn1 N1 2.088(4) . ?
Zn1 N2 2.119(4) . ?
Zn1 Zn1 2.8510(9) 2_575 ?
Zn1 K2 3.6224(14) . ?
Zn2 C21 2.020(4) . ?
Zn2 N4 2.079(3) 2_665 ?
Zn2 N3 2.087(4) . ?
Zn2 N4 2.117(4) . ?
Zn2 Zn2 2.8484(9) 2_665 ?
Zn2 K2 3.6032(14) . ?
K1 O1 2.675(5) . ?
K1 O1 2.675(5) 2_575 ?
K1 C4 2.970(5) 2_575 ?
K1 C4 2.970(5) . ?
K1 N1 3.013(4) 2_575 ?
K1 N1 3.013(4) . ?
K1 C3 3.020(5) 2_575 ?
K1 C3 3.020(5) . ?
K1 C1 3.055(5) 2_575 ?
K1 C1 3.055(5) . ?
K1 C2 3.084(5) 2_575 ?
K1 C2 3.084(5) . ?
K2 N1 2.948(4) . ?
K2 N3 2.980(4) . ?
K2 C10 3.002(5) . ?
K2 C1 3.006(5) . ?
K2 C13 3.005(4) . ?
K2 C4 3.012(4) . ?
K2 C2 3.112(5) . ?
K2 C11 3.118(5) . ?
K2 C3 3.121(5) . ?
K2 C12 3.127(5) . ?
K2 C19 3.363(5) . ?
K2 C21 3.371(5) . ?
K3 O2 2.660(5) 2_665 ?
K3 O2 2.660(5) . ?
K3 C13 2.991(5) . ?
K3 C13 2.991(5) 2_665 ?
K3 C12 3.015(5) . ?
K3 C12 3.015(5) 2_665 ?
K3 N3 3.018(4) 2_665 ?
K3 N3 3.018(4) . ?
K3 C10 3.088(4) 2_665 ?
K3 C10 3.088(4) . ?
K3 C11 3.100(5) 2_665 ?
K3 C11 3.100(5) . ?
N1 C1 1.360(6) . ?
N1 C4 1.372(6) . ?
N2 C5 1.474(5) . ?
N2 C6 1.505(6) . ?
N2 Zn1 2.079(4) 2_575 ?
N3 C13 1.369(6) . ?
N3 C10 1.374(6) . ?
N4 C14 1.469(5) . ?
N4 C15 1.484(5) . ?
N4 Zn2 2.079(3) 2_665 ?
O1 C23 1.390(9) . ?
O1 C26 1.429(10) . ?
O2 C30 1.427(10) . ?
O2 C27 1.453(10) . ?
O3 C31 1.394(13) . ?
O3 C31 1.394(13) 2_675 ?
C1 C2 1.398(7) . ?
C1 H1 0.9500 . ?
C2 C3 1.409(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.356(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.536(6) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C9 1.534(7) . ?
C6 C7 1.533(7) . ?
C6 C8 1.536(6) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.359(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.410(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.393(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.531(6) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.491(6) . ?
C15 C17 1.551(6) . ?
C15 C18 1.598(6) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.561(7) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.558(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.520(12) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.399(12) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.403(11) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.515(12) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.480(13) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.550(14) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.327(18) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C32 1.4496(12) 2_675 ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C19 Zn1 N2 125.85(17) . 2_575 ?
C19 Zn1 N1 110.94(15) . . ?
N2 Zn1 N1 105.88(13) 2_575 . ?
C19 Zn1 N2 127.78(17) . . ?
N2 Zn1 N2 94.37(13) 2_575 . ?
N1 Zn1 N2 83.03(13) . . ?
C19 Zn1 Zn1 149.45(12) . 2_575 ?
N2 Zn1 Zn1 47.82(10) 2_575 2_575 ?
N1 Zn1 Zn1 98.58(9) . 2_575 ?
N2 Zn1 Zn1 46.64(10) . 2_575 ?
C19 Zn1 K2 66.20(13) . . ?
N2 Zn1 K2 160.03(9) 2_575 . ?
N1 Zn1 K2 54.47(10) . . ?
N2 Zn1 K2 87.11(10) . . ?
Zn1 Zn1 K2 131.38(3) 2_575 . ?
C21 Zn2 N4 124.83(18) . 2_665 ?
C21 Zn2 N3 112.10(15) . . ?
N4 Zn2 N3 104.95(13) 2_665 . ?
C21 Zn2 N4 128.05(18) . . ?
N4 Zn2 N4 94.41(11) 2_665 . ?
N3 Zn2 N4 83.95(13) . . ?
C21 Zn2 Zn2 148.84(12) . 2_665 ?
N4 Zn2 Zn2 47.80(10) 2_665 2_665 ?
N3 Zn2 Zn2 98.36(9) . 2_665 ?
N4 Zn2 Zn2 46.69(10) . 2_665 ?
C21 Zn2 K2 66.95(14) . . ?
N4 Zn2 K2 160.44(9) 2_665 . ?
N3 Zn2 K2 55.77(10) . . ?
N4 Zn2 K2 87.18(10) . . ?
Zn2 Zn2 K2 131.50(3) 2_665 . ?
O1 K1 O1 101.9(2) . 2_575 ?
O1 K1 C4 108.58(14) . 2_575 ?
O1 K1 C4 125.30(14) 2_575 2_575 ?
O1 K1 C4 125.30(14) . . ?
O1 K1 C4 108.58(14) 2_575 . ?
C4 K1 C4 89.27(18) 2_575 . ?
O1 K1 N1 134.84(13) . 2_575 ?
O1 K1 N1 107.26(13) 2_575 2_575 ?
C4 K1 N1 26.51(11) 2_575 2_575 ?
C4 K1 N1 76.30(11) . 2_575 ?
O1 K1 N1 107.26(13) . . ?
O1 K1 N1 134.84(13) 2_575 . ?
C4 K1 N1 76.30(11) 2_575 . ?
C4 K1 N1 26.51(11) . . ?
N1 K1 N1 74.65(14) 2_575 . ?
O1 K1 C3 94.20(15) . 2_575 ?
O1 K1 C3 110.13(15) 2_575 2_575 ?
C4 K1 C3 26.15(12) 2_575 2_575 ?
C4 K1 C3 115.23(13) . 2_575 ?
N1 K1 C3 43.60(11) 2_575 2_575 ?
N1 K1 C3 101.39(12) . 2_575 ?
O1 K1 C3 110.13(15) . . ?
O1 K1 C3 94.20(15) 2_575 . ?
C4 K1 C3 115.23(13) 2_575 . ?
C4 K1 C3 26.15(12) . . ?
N1 K1 C3 101.39(12) 2_575 . ?
N1 K1 C3 43.60(11) . . ?
C3 K1 C3 141.32(18) 2_575 . ?
O1 K1 C1 134.24(15) . 2_575 ?
O1 K1 C1 83.82(14) 2_575 2_575 ?
C4 K1 C1 42.69(13) 2_575 2_575 ?
C4 K1 C1 93.93(13) . 2_575 ?
N1 K1 C1 25.89(11) 2_575 2_575 ?
N1 K1 C1 98.91(12) . 2_575 ?
C3 K1 C1 43.27(13) 2_575 2_575 ?
C3 K1 C1 114.71(14) . 2_575 ?
O1 K1 C1 83.82(14) . . ?
O1 K1 C1 134.24(15) 2_575 . ?
C4 K1 C1 93.93(13) 2_575 . ?
C4 K1 C1 42.69(13) . . ?
N1 K1 C1 98.91(12) 2_575 . ?
N1 K1 C1 25.89(11) . . ?
C3 K1 C1 114.71(14) 2_575 . ?
C3 K1 C1 43.27(13) . . ?
C1 K1 C1 124.16(18) 2_575 . ?
O1 K1 C2 108.19(15) . 2_575 ?
O1 K1 C2 84.81(15) 2_575 2_575 ?
C4 K1 C2 43.11(13) 2_575 2_575 ?
C4 K1 C2 118.66(14) . 2_575 ?
N1 K1 C2 43.37(12) 2_575 2_575 ?
N1 K1 C2 116.55(12) . 2_575 ?
C3 K1 C2 26.66(14) 2_575 2_575 ?
C3 K1 C2 141.00(14) . 2_575 ?
C1 K1 C2 26.33(14) 2_575 2_575 ?
C1 K1 C2 137.01(14) . 2_575 ?
O1 K1 C2 84.81(15) . . ?
O1 K1 C2 108.19(15) 2_575 . ?
C4 K1 C2 118.66(14) 2_575 . ?
C4 K1 C2 43.11(13) . . ?
N1 K1 C2 116.55(12) 2_575 . ?
N1 K1 C2 43.37(12) . . ?
C3 K1 C2 141.00(14) 2_575 . ?
C3 K1 C2 26.66(14) . . ?
C1 K1 C2 137.01(14) 2_575 . ?
C1 K1 C2 26.33(14) . . ?
C2 K1 C2 159.7(2) 2_575 . ?
N1 K2 N3 178.42(12) . . ?
N1 K2 C10 153.91(12) . . ?
N3 K2 C10 26.54(11) . . ?
N1 K2 C1 26.39(11) . . ?
N3 K2 C1 153.07(12) . . ?
C10 K2 C1 178.58(14) . . ?
N1 K2 C13 151.98(12) . . ?
N3 K2 C13 26.44(11) . . ?
C10 K2 C13 42.80(12) . . ?
C1 K2 C13 136.06(13) . . ?
N1 K2 C4 26.60(11) . . ?
N3 K2 C4 154.98(13) . . ?
C10 K2 C4 138.34(13) . . ?
C1 K2 C4 42.78(13) . . ?
C13 K2 C4 178.58(14) . . ?
N1 K2 C2 43.56(12) . . ?
N3 K2 C2 136.91(13) . . ?
C10 K2 C2 154.77(15) . . ?
C1 K2 C2 26.35(14) . . ?
C13 K2 C2 137.02(13) . . ?
C4 K2 C2 42.60(12) . . ?
N1 K2 C11 136.15(13) . . ?
N3 K2 C11 43.38(13) . . ?
C10 K2 C11 25.56(14) . . ?
C1 K2 C11 153.32(16) . . ?
C13 K2 C11 43.09(12) . . ?
C4 K2 C11 137.29(13) . . ?
C2 K2 C11 179.67(16) . . ?
N1 K2 C3 43.21(11) . . ?
N3 K2 C3 138.10(12) . . ?
C10 K2 C3 138.59(13) . . ?
C1 K2 C3 42.84(13) . . ?
C13 K2 C3 155.03(13) . . ?
C4 K2 C3 25.46(12) . . ?
C2 K2 C3 26.12(13) . . ?
C11 K2 C3 153.97(14) . . ?
N1 K2 C12 135.46(13) . . ?
N3 K2 C12 43.24(13) . . ?
C10 K2 C12 42.29(14) . . ?
C1 K2 C12 136.29(15) . . ?
C13 K2 C12 26.17(12) . . ?
C4 K2 C12 153.31(13) . . ?
C2 K2 C12 153.80(14) . . ?
C11 K2 C12 26.10(14) . . ?
C3 K2 C12 178.65(14) . . ?
N1 K2 C19 64.71(10) . . ?
N3 K2 C19 114.17(11) . . ?
C10 K2 C19 100.67(12) . . ?
C1 K2 C19 78.38(13) . . ?
C13 K2 C19 94.90(12) . . ?
C4 K2 C19 84.07(12) . . ?
C2 K2 C19 104.24(13) . . ?
C11 K2 C19 75.43(14) . . ?
C3 K2 C19 107.17(11) . . ?
C12 K2 C19 71.47(12) . . ?
N1 K2 C21 116.54(11) . . ?
N3 K2 C21 64.55(11) . . ?
C10 K2 C21 78.68(13) . . ?
C1 K2 C21 102.24(13) . . ?
C13 K2 C21 83.47(12) . . ?
C4 K2 C21 97.55(12) . . ?
C2 K2 C21 76.54(13) . . ?
C11 K2 C21 103.79(14) . . ?
C3 K2 C21 74.26(11) . . ?
C12 K2 C21 107.09(12) . . ?
C19 K2 C21 178.19(10) . . ?
O2 K3 O2 112.7(2) 2_665 . ?
O2 K3 C13 127.20(14) 2_665 . ?
O2 K3 C13 101.44(15) . . ?
O2 K3 C13 101.44(15) 2_665 2_665 ?
O2 K3 C13 127.20(14) . 2_665 ?
C13 K3 C13 87.11(18) . 2_665 ?
O2 K3 C12 115.07(15) 2_665 . ?
O2 K3 C12 87.18(15) . . ?
C13 K3 C12 26.82(12) . . ?
C13 K3 C12 113.74(13) 2_665 . ?
O2 K3 C12 87.18(15) 2_665 2_665 ?
O2 K3 C12 115.07(15) . 2_665 ?
C13 K3 C12 113.74(13) . 2_665 ?
C13 K3 C12 26.82(12) 2_665 2_665 ?
C12 K3 C12 140.50(19) . 2_665 ?
O2 K3 N3 127.50(14) 2_665 2_665 ?
O2 K3 N3 106.23(13) . 2_665 ?
C13 K3 N3 74.59(11) . 2_665 ?
C13 K3 N3 26.33(11) 2_665 2_665 ?
C12 K3 N3 100.31(12) . 2_665 ?
C12 K3 N3 43.87(12) 2_665 2_665 ?
O2 K3 N3 106.23(13) 2_665 . ?
O2 K3 N3 127.50(14) . . ?
C13 K3 N3 26.33(11) . . ?
C13 K3 N3 74.59(11) 2_665 . ?
C12 K3 N3 43.87(12) . . ?
C12 K3 N3 100.31(12) 2_665 . ?
N3 K3 N3 73.41(14) 2_665 . ?
O2 K3 C10 127.58(15) 2_665 2_665 ?
O2 K3 C10 85.05(15) . 2_665 ?
C13 K3 C10 93.19(13) . 2_665 ?
C13 K3 C10 42.24(12) 2_665 2_665 ?
C12 K3 C10 114.69(13) . 2_665 ?
C12 K3 C10 42.52(13) 2_665 2_665 ?
N3 K3 C10 25.96(11) 2_665 2_665 ?
N3 K3 C10 98.14(12) . 2_665 ?
O2 K3 C10 85.05(15) 2_665 . ?
O2 K3 C10 127.58(15) . . ?
C13 K3 C10 42.24(12) . . ?
C13 K3 C10 93.19(13) 2_665 . ?
C12 K3 C10 42.52(13) . . ?
C12 K3 C10 114.69(13) 2_665 . ?
N3 K3 C10 98.14(12) 2_665 . ?
N3 K3 C10 25.96(11) . . ?
C10 K3 C10 123.62(18) 2_665 . ?
O2 K3 C11 103.05(16) 2_665 2_665 ?
O2 K3 C11 89.07(16) . 2_665 ?
C13 K3 C11 116.95(14) . 2_665 ?
C13 K3 C11 43.33(13) 2_665 2_665 ?
C12 K3 C11 140.01(15) . 2_665 ?
C12 K3 C11 26.62(14) 2_665 2_665 ?
N3 K3 C11 43.27(12) 2_665 2_665 ?
N3 K3 C11 115.14(13) . 2_665 ?
C10 K3 C11 25.36(14) 2_665 2_665 ?
C10 K3 C11 136.46(14) . 2_665 ?
O2 K3 C11 89.07(16) 2_665 . ?
O2 K3 C11 103.05(16) . . ?
C13 K3 C11 43.33(13) . . ?
C13 K3 C11 116.95(14) 2_665 . ?
C12 K3 C11 26.62(14) . . ?
C12 K3 C11 140.01(15) 2_665 . ?
N3 K3 C11 115.14(13) 2_665 . ?
N3 K3 C11 43.27(12) . . ?
C10 K3 C11 136.46(14) 2_665 . ?
C10 K3 C11 25.36(14) . . ?
C11 K3 C11 158.2(2) 2_665 . ?
C1 N1 C4 106.9(4) . . ?
C1 N1 Zn1 137.6(3) . . ?
C4 N1 Zn1 111.4(3) . . ?
C1 N1 K2 79.2(3) . . ?
C4 N1 K2 79.3(2) . . ?
Zn1 N1 K2 90.34(12) . . ?
C1 N1 K1 78.8(2) . . ?
C4 N1 K1 75.0(2) . . ?
Zn1 N1 K1 128.26(14) . . ?
K2 N1 K1 139.32(13) . . ?
C5 N2 C6 111.0(3) . . ?
C5 N2 Zn1 110.4(3) . 2_575 ?
C6 N2 Zn1 117.2(3) . 2_575 ?
C5 N2 Zn1 111.1(3) . . ?
C6 N2 Zn1 119.1(3) . . ?
Zn1 N2 Zn1 85.54(13) 2_575 . ?
C13 N3 C10 106.1(4) . . ?
C13 N3 Zn2 109.4(3) . . ?
C10 N3 Zn2 138.1(3) . . ?
C13 N3 K2 77.8(2) . . ?
C10 N3 K2 77.7(2) . . ?
Zn2 N3 K2 88.85(13) . . ?
C13 N3 K3 75.7(2) . . ?
C10 N3 K3 79.9(3) . . ?
Zn2 N3 K3 129.90(15) . . ?
K2 N3 K3 138.59(14) . . ?
C14 N4 C15 112.1(3) . . ?
C14 N4 Zn2 110.4(3) . 2_665 ?
C15 N4 Zn2 116.6(3) . 2_665 ?
C14 N4 Zn2 110.4(3) . . ?
C15 N4 Zn2 119.2(3) . . ?
Zn2 N4 Zn2 85.52(11) 2_665 . ?
C23 O1 C26 105.6(6) . . ?
C23 O1 K1 120.9(5) . . ?
C26 O1 K1 122.7(4) . . ?
C30 O2 C27 113.1(6) . . ?
C30 O2 K3 121.5(5) . . ?
C27 O2 K3 122.3(4) . . ?
C31 O3 C31 103.5(13) . 2_675 ?
N1 C1 C2 109.6(4) . . ?
N1 C1 K2 74.4(3) . . ?
C2 C1 K2 81.1(3) . . ?
N1 C1 K1 75.3(2) . . ?
C2 C1 K1 78.0(3) . . ?
K2 C1 K1 134.49(17) . . ?
N1 C1 H1 125.2 . . ?
C2 C1 H1 125.2 . . ?
K2 C1 H1 111.5 . . ?
K1 C1 H1 113.6 . . ?
C1 C2 C3 105.9(4) . . ?
C1 C2 K1 75.7(3) . . ?
C3 C2 K1 74.1(3) . . ?
C1 C2 K2 72.6(3) . . ?
C3 C2 K2 77.3(3) . . ?
K1 C2 K2 128.86(17) . . ?
C1 C2 H2 127.1 . . ?
C3 C2 H2 127.1 . . ?
K1 C2 H2 115.6 . . ?
K2 C2 H2 115.5 . . ?
C4 C3 C2 107.3(4) . . ?
C4 C3 K1 74.9(3) . . ?
C2 C3 K1 79.2(3) . . ?
C4 C3 K2 72.8(3) . . ?
C2 C3 K2 76.6(3) . . ?
K1 C3 K2 131.02(16) . . ?
C4 C3 H3 126.4 . . ?
C2 C3 H3 126.4 . . ?
K1 C3 H3 112.2 . . ?
K2 C3 H3 116.5 . . ?
C3 C4 N1 110.4(4) . . ?
C3 C4 C5 131.3(4) . . ?
N1 C4 C5 118.2(4) . . ?
C3 C4 K1 79.0(3) . . ?
N1 C4 K1 78.5(2) . . ?
C5 C4 K1 107.2(3) . . ?
C3 C4 K2 81.8(3) . . ?
N1 C4 K2 74.1(2) . . ?
C5 C4 K2 113.4(3) . . ?
K1 C4 K2 138.23(16) . . ?
N2 C5 C4 112.3(3) . . ?
N2 C5 H5A 109.1 . . ?
C4 C5 H5A 109.1 . . ?
N2 C5 H5B 109.1 . . ?
C4 C5 H5B 109.1 . . ?
H5A C5 H5B 107.9 . . ?
N2 C6 C9 110.9(4) . . ?
N2 C6 C7 112.2(4) . . ?
C9 C6 C7 109.4(4) . . ?
N2 C6 C8 108.5(4) . . ?
C9 C6 C8 108.1(4) . . ?
C7 C6 C8 107.6(4) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 N3 111.4(4) . . ?
C11 C10 K2 82.0(3) . . ?
N3 C10 K2 75.8(3) . . ?
C11 C10 K3 77.8(3) . . ?
N3 C10 K3 74.2(2) . . ?
K2 C10 K3 134.20(16) . . ?
C11 C10 H10 124.3 . . ?
N3 C10 H10 124.3 . . ?
K2 C10 H10 110.0 . . ?
K3 C10 H10 115.4 . . ?
C10 C11 C12 106.2(4) . . ?
C10 C11 K3 76.8(3) . . ?
C12 C11 K3 73.3(3) . . ?
C10 C11 K2 72.5(3) . . ?
C12 C11 K2 77.3(3) . . ?
K3 C11 K2 128.94(18) . . ?
C10 C11 H11 126.9 . . ?
C12 C11 H11 126.9 . . ?
K3 C11 H11 115.4 . . ?
K2 C11 H11 115.7 . . ?
C13 C12 C11 106.8(5) . . ?
C13 C12 K3 75.6(3) . . ?
C11 C12 K3 80.0(3) . . ?
C13 C12 K2 72.0(3) . . ?
C11 C12 K2 76.6(3) . . ?
K3 C12 K2 131.95(19) . . ?
C13 C12 H12 126.6 . . ?
C11 C12 H12 126.6 . . ?
K3 C12 H12 110.7 . . ?
K2 C12 H12 117.0 . . ?
N3 C13 C12 109.4(4) . . ?
N3 C13 C14 119.6(4) . . ?
C12 C13 C14 130.8(4) . . ?
N3 C13 K3 78.0(2) . . ?
C12 C13 K3 77.6(3) . . ?
C14 C13 K3 107.8(3) . . ?
N3 C13 K2 75.8(2) . . ?
C12 C13 K2 81.8(3) . . ?
C14 C13 K2 112.7(3) . . ?
K3 C13 K2 138.72(16) . . ?
N4 C14 C13 112.2(4) . . ?
N4 C14 H14A 109.2 . . ?
C13 C14 H14A 109.2 . . ?
N4 C14 H14B 109.2 . . ?
C13 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
N4 C15 C16 110.2(3) . . ?
N4 C15 C17 111.3(4) . . ?
C16 C15 C17 108.6(4) . . ?
N4 C15 C18 110.0(3) . . ?
C16 C15 C18 108.0(4) . . ?
C17 C15 C18 108.6(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 K2 116.1(3) . . ?
C15 C18 H18A 108.3 . . ?
K2 C18 H18A 108.3 . . ?
C15 C18 H18B 108.3 . . ?
K2 C18 H18B 108.3 . . ?
H18A C18 H18B 107.4 . . ?
C20 C19 Zn1 113.1(3) . . ?
C20 C19 K2 82.0(3) . . ?
Zn1 C19 K2 80.20(14) . . ?
C20 C19 H19A 108.9 . . ?
Zn1 C19 H19A 108.9 . . ?
K2 C19 H19A 52.5 . . ?
C20 C19 H19B 109.0 . . ?
Zn1 C19 H19B 108.9 . . ?
K2 C19 H19B 160.2 . . ?
H19A C19 H19B 107.8 . . ?
C19 C20 K2 71.9(3) . . ?
C19 C20 H20A 116.4 . . ?
K2 C20 H20A 116.4 . . ?
C19 C20 H20B 116.4 . . ?
K2 C20 H20B 116.4 . . ?
H20A C20 H20B 113.4 . . ?
C22 C21 Zn2 115.7(3) . . ?
C22 C21 K2 84.6(3) . . ?
Zn2 C21 K2 79.58(14) . . ?
C22 C21 H21A 108.3 . . ?
Zn2 C21 H21A 108.3 . . ?
K2 C21 H21A 158.5 . . ?
C22 C21 H21B 108.3 . . ?
Zn2 C21 H21B 108.3 . . ?
K2 C21 H21B 51.3 . . ?
H21A C21 H21B 107.4 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O1 C23 C24 102.1(7) . . ?
O1 C23 H23A 111.4 . . ?
C24 C23 H23A 111.4 . . ?
O1 C23 H23B 111.4 . . ?
C24 C23 H23B 111.4 . . ?
H23A C23 H23B 109.2 . . ?
C25 C24 C23 109.6(7) . . ?
C25 C24 H24A 109.7 . . ?
C23 C24 H24A 109.7 . . ?
C25 C24 H24B 109.7 . . ?
C23 C24 H24B 109.7 . . ?
H24A C24 H24B 108.2 . . ?
C24 C25 C26 103.2(8) . . ?
C24 C25 H25A 111.1 . . ?
C26 C25 H25A 111.1 . . ?
C24 C25 H25B 111.1 . . ?
C26 C25 H25B 111.1 . . ?
H25A C25 H25B 109.1 . . ?
C25 C26 O1 112.0(7) . . ?
C25 C26 H26A 109.2 . . ?
O1 C26 H26A 109.2 . . ?
C25 C26 H26B 109.2 . . ?
O1 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
O2 C27 C28 107.7(7) . . ?
O2 C27 H27A 110.2 . . ?
C28 C27 H27A 110.2 . . ?
O2 C27 H27B 110.2 . . ?
C28 C27 H27B 110.2 . . ?
H27A C27 H27B 108.5 . . ?
C29 C28 C27 99.7(8) . . ?
C29 C28 H28A 111.8 . . ?
C27 C28 H28A 111.8 . . ?
C29 C28 H28B 111.8 . . ?
C27 C28 H28B 111.8 . . ?
H28A C28 H28B 109.6 . . ?
C28 C29 C30 110.2(7) . . ?
C28 C29 H29A 109.6 . . ?
C30 C29 H29A 109.6 . . ?
C28 C29 H29B 109.6 . . ?
C30 C29 H29B 109.6 . . ?
H29A C29 H29B 108.1 . . ?
O2 C30 C29 99.9(7) . . ?
O2 C30 H30A 111.8 . . ?
C29 C30 H30A 111.8 . . ?
O2 C30 H30B 111.8 . . ?
C29 C30 H30B 111.8 . . ?
H30A C30 H30B 109.5 . . ?
C32 C31 O3 110.1(6) . . ?
C32 C31 H31A 109.6 . . ?
O3 C31 H31A 109.6 . . ?
C32 C31 H31B 109.6 . . ?
O3 C31 H31B 109.6 . . ?
H31A C31 H31B 108.2 . . ?
C31 C32 C32 104.0(3) . 2_675 ?
C31 C32 H32A 111.0 . . ?
C32 C32 H32A 111.0 2_675 . ?
C31 C32 H32B 111.0 . . ?
C32 C32 H32B 111.0 2_675 . ?
H32A C32 H32B 109.0 . . ?

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
C19 Zn1 N1 C1 37.8(5) . . . . ?
N2 Zn1 N1 C1 -101.8(5) 2_575 . . . ?
N2 Zn1 N1 C1 165.6(5) . . . . ?
Zn1 Zn1 N1 C1 -150.2(4) 2_575 . . . ?
K2 Zn1 N1 C1 74.2(4) . . . . ?
C19 Zn1 N1 C4 -115.1(3) . . . . ?
N2 Zn1 N1 C4 105.4(3) 2_575 . . . ?
N2 Zn1 N1 C4 12.8(3) . . . . ?
Zn1 Zn1 N1 C4 56.9(3) 2_575 . . . ?
K2 Zn1 N1 C4 -78.6(3) . . . . ?
C19 Zn1 N1 K2 -36.46(18) . . . . ?
N2 Zn1 N1 K2 -176.00(12) 2_575 . . . ?
N2 Zn1 N1 K2 91.42(12) . . . . ?
Zn1 Zn1 N1 K2 135.54(7) 2_575 . . . ?
C19 Zn1 N1 K1 157.48(19) . . . . ?
N2 Zn1 N1 K1 17.9(2) 2_575 . . . ?
N2 Zn1 N1 K1 -74.64(19) . . . . ?
Zn1 Zn1 N1 K1 -30.52(18) 2_575 . . . ?
K2 Zn1 N1 K1 -166.1(2) . . . . ?
N3 K2 N1 C1 -72(4) . . . . ?
C10 K2 N1 C1 -176.9(3) . . . . ?
C13 K2 N1 C1 -70.2(4) . . . . ?
C4 K2 N1 C1 109.7(4) . . . . ?
C2 K2 N1 C1 36.3(3) . . . . ?
C11 K2 N1 C1 -143.5(3) . . . . ?
C3 K2 N1 C1 74.7(3) . . . . ?
C12 K2 N1 C1 -105.7(3) . . . . ?
C19 K2 N1 C1 -116.8(3) . . . . ?
C21 K2 N1 C1 61.7(3) . . . . ?
N3 K2 N1 C4 179(100) . . . . ?
C10 K2 N1 C4 73.5(4) . . . . ?
C1 K2 N1 C4 -109.7(4) . . . . ?
C13 K2 N1 C4 -179.9(3) . . . . ?
C2 K2 N1 C4 -73.4(3) . . . . ?
C11 K2 N1 C4 106.8(3) . . . . ?
C3 K2 N1 C4 -35.0(3) . . . . ?
C12 K2 N1 C4 144.6(3) . . . . ?
C19 K2 N1 C4 133.5(3) . . . . ?
C21 K2 N1 C4 -47.9(3) . . . . ?
N3 K2 N1 Zn1 67(4) . . . . ?
C10 K2 N1 Zn1 -38.2(3) . . . . ?
C1 K2 N1 Zn1 138.6(3) . . . . ?
C13 K2 N1 Zn1 68.4(3) . . . . ?
C4 K2 N1 Zn1 -111.7(3) . . . . ?
C2 K2 N1 Zn1 174.9(2) . . . . ?
C11 K2 N1 Zn1 -4.9(2) . . . . ?
C3 K2 N1 Zn1 -146.7(2) . . . . ?
C12 K2 N1 Zn1 32.9(2) . . . . ?
C19 K2 N1 Zn1 21.79(11) . . . . ?
C21 K2 N1 Zn1 -159.66(11) . . . . ?
N3 K2 N1 K1 -130(4) . . . . ?
C10 K2 N1 K1 124.9(3) . . . . ?
C1 K2 N1 K1 -58.3(3) . . . . ?
C13 K2 N1 K1 -128.5(2) . . . . ?
C4 K2 N1 K1 51.4(2) . . . . ?
C2 K2 N1 K1 -21.98(19) . . . . ?
C11 K2 N1 K1 158.26(19) . . . . ?
C3 K2 N1 K1 16.43(18) . . . . ?
C12 K2 N1 K1 -163.95(18) . . . . ?
C19 K2 N1 K1 -175.1(2) . . . . ?
C21 K2 N1 K1 3.5(2) . . . . ?
O1 K1 N1 C1 26.1(3) . . . . ?
O1 K1 N1 C1 -101.8(3) 2_575 . . . ?
C4 K1 N1 C1 131.6(3) 2_575 . . . ?
C4 K1 N1 C1 -111.1(4) . . . . ?
N1 K1 N1 C1 158.9(3) 2_575 . . . ?
C3 K1 N1 C1 124.2(3) 2_575 . . . ?
C3 K1 N1 C1 -75.2(3) . . . . ?
C1 K1 N1 C1 168.08(18) 2_575 . . . ?
C2 K1 N1 C1 147.5(3) 2_575 . . . ?
C2 K1 N1 C1 -36.1(3) . . . . ?
O1 K1 N1 C4 137.1(3) . . . . ?
O1 K1 N1 C4 9.3(3) 2_575 . . . ?
C4 K1 N1 C4 -117.4(3) 2_575 . . . ?
N1 K1 N1 C4 -90.0(2) 2_575 . . . ?
C3 K1 N1 C4 -124.8(2) 2_575 . . . ?
C3 K1 N1 C4 35.8(2) . . . . ?
C1 K1 N1 C4 -80.9(3) 2_575 . . . ?
C1 K1 N1 C4 111.1(4) . . . . ?
C2 K1 N1 C4 -101.5(3) 2_575 . . . ?
C2 K1 N1 C4 75.0(3) . . . . ?
O1 K1 N1 Zn1 -117.2(2) . . . . ?
O1 K1 N1 Zn1 114.9(2) 2_575 . . . ?
C4 K1 N1 Zn1 -11.72(18) 2_575 . . . ?
C4 K1 N1 Zn1 105.6(3) . . . . ?
N1 K1 N1 Zn1 15.63(9) 2_575 . . . ?
C3 K1 N1 Zn1 -19.2(2) 2_575 . . . ?
C3 K1 N1 Zn1 141.4(3) . . . . ?
C1 K1 N1 Zn1 24.8(2) 2_575 . . . ?
C1 K1 N1 Zn1 -143.3(4) . . . . ?
C2 K1 N1 Zn1 4.1(2) 2_575 . . . ?
C2 K1 N1 Zn1 -179.4(3) . . . . ?
O1 K1 N1 K2 84.4(2) . . . . ?
O1 K1 N1 K2 -43.4(3) 2_575 . . . ?
C4 K1 N1 K2 -170.0(2) 2_575 . . . ?
C4 K1 N1 K2 -52.7(2) . . . . ?
N1 K1 N1 K2 -142.7(3) 2_575 . . . ?
C3 K1 N1 K2 -177.46(19) 2_575 . . . ?
C3 K1 N1 K2 -16.87(18) . . . . ?
C1 K1 N1 K2 -133.5(2) 2_575 . . . ?
C1 K1 N1 K2 58.4(3) . . . . ?
C2 K1 N1 K2 -154.17(19) 2_575 . . . ?
C2 K1 N1 K2 22.28(19) . . . . ?
C19 Zn1 N2 C5 109.7(3) . . . . ?
N2 Zn1 N2 C5 -106.9(3) 2_575 . . . ?
N1 Zn1 N2 C5 -1.4(3) . . . . ?
Zn1 Zn1 N2 C5 -110.2(3) 2_575 . . . ?
K2 Zn1 N2 C5 53.1(3) . . . . ?
C19 Zn1 N2 C6 -21.3(4) . . . . ?
N2 Zn1 N2 C6 122.1(3) 2_575 . . . ?
N1 Zn1 N2 C6 -132.4(3) . . . . ?
Zn1 Zn1 N2 C6 118.8(3) 2_575 . . . ?
K2 Zn1 N2 C6 -77.9(3) . . . . ?
C19 Zn1 N2 Zn1 -140.06(16) . . . 2_575 ?
N2 Zn1 N2 Zn1 3.29(18) 2_575 . . 2_575 ?
N1 Zn1 N2 Zn1 108.79(13) . . . 2_575 ?
K2 Zn1 N2 Zn1 163.33(9) . . . 2_575 ?
C21 Zn2 N3 C13 114.7(3) . . . . ?
N4 Zn2 N3 C13 -107.0(3) 2_665 . . . ?
N4 Zn2 N3 C13 -14.1(3) . . . . ?
Zn2 Zn2 N3 C13 -58.6(3) 2_665 . . . ?
K2 Zn2 N3 C13 76.6(3) . . . . ?
C21 Zn2 N3 C10 -31.9(5) . . . . ?
N4 Zn2 N3 C10 106.4(5) 2_665 . . . ?
N4 Zn2 N3 C10 -160.6(5) . . . . ?
Zn2 Zn2 N3 C10 154.8(5) 2_665 . . . ?
K2 Zn2 N3 C10 -69.9(5) . . . . ?
C21 Zn2 N3 K2 38.1(2) . . . . ?
N4 Zn2 N3 K2 176.33(12) 2_665 . . . ?
N4 Zn2 N3 K2 -90.70(12) . . . . ?
Zn2 Zn2 N3 K2 -135.23(7) 2_665 . . . ?
C21 Zn2 N3 K3 -158.0(2) . . . . ?
N4 Zn2 N3 K3 -19.7(2) 2_665 . . . ?
N4 Zn2 N3 K3 73.3(2) . . . . ?
Zn2 Zn2 N3 K3 28.7(2) 2_665 . . . ?
K2 Zn2 N3 K3 164.0(3) . . . . ?
N1 K2 N3 C13 1(4) . . . . ?
C10 K2 N3 C13 109.8(4) . . . . ?
C1 K2 N3 C13 -67.2(4) . . . . ?
C4 K2 N3 C13 -179.9(3) . . . . ?
C2 K2 N3 C13 -104.8(3) . . . . ?
C11 K2 N3 C13 74.9(3) . . . . ?
C3 K2 N3 C13 -143.8(3) . . . . ?
C12 K2 N3 C13 36.5(3) . . . . ?
C19 K2 N3 C13 46.2(3) . . . . ?
C21 K2 N3 C13 -132.4(3) . . . . ?
N1 K2 N3 C10 -108(4) . . . . ?
C1 K2 N3 C10 -177.0(3) . . . . ?
C13 K2 N3 C10 -109.8(4) . . . . ?
C4 K2 N3 C10 70.3(4) . . . . ?
C2 K2 N3 C10 145.4(3) . . . . ?
C11 K2 N3 C10 -34.8(3) . . . . ?
C3 K2 N3 C10 106.4(3) . . . . ?
C12 K2 N3 C10 -73.3(3) . . . . ?
C19 K2 N3 C10 -63.6(3) . . . . ?
C21 K2 N3 C10 117.8(3) . . . . ?
N1 K2 N3 Zn2 112(4) . . . . ?
C10 K2 N3 Zn2 -140.1(3) . . . . ?
C1 K2 N3 Zn2 43.0(3) . . . . ?
C13 K2 N3 Zn2 110.1(3) . . . . ?
C4 K2 N3 Zn2 -69.7(3) . . . . ?
C2 K2 N3 Zn2 5.3(2) . . . . ?
C11 K2 N3 Zn2 -174.9(2) . . . . ?
C3 K2 N3 Zn2 -33.7(2) . . . . ?
C12 K2 N3 Zn2 146.6(2) . . . . ?
C19 K2 N3 Zn2 156.31(11) . . . . ?
C21 K2 N3 Zn2 -22.28(11) . . . . ?
N1 K2 N3 K3 -50(4) . . . . ?
C10 K2 N3 K3 58.6(3) . . . . ?
C1 K2 N3 K3 -118.3(3) . . . . ?
C13 K2 N3 K3 -51.2(2) . . . . ?
C4 K2 N3 K3 128.9(3) . . . . ?
C2 K2 N3 K3 -155.97(19) . . . . ?
C11 K2 N3 K3 23.8(2) . . . . ?
C3 K2 N3 K3 164.98(18) . . . . ?
C12 K2 N3 K3 -14.68(18) . . . . ?
C19 K2 N3 K3 -5.0(2) . . . . ?
C21 K2 N3 K3 176.4(2) . . . . ?
O2 K3 N3 C13 -146.2(3) 2_665 . . . ?
O2 K3 N3 C13 -9.3(3) . . . . ?
C13 K3 N3 C13 116.0(3) 2_665 . . . ?
C12 K3 N3 C13 -36.7(3) . . . . ?
C12 K3 N3 C13 123.7(3) 2_665 . . . ?
N3 K3 N3 C13 88.7(2) 2_665 . . . ?
C10 K3 N3 C13 80.7(3) 2_665 . . . ?
C10 K3 N3 C13 -109.7(4) . . . . ?
C11 K3 N3 C13 100.4(3) 2_665 . . . ?
C11 K3 N3 C13 -75.8(3) . . . . ?
O2 K3 N3 C10 -36.6(3) 2_665 . . . ?
O2 K3 N3 C10 100.4(3) . . . . ?
C13 K3 N3 C10 109.7(4) . . . . ?
C13 K3 N3 C10 -134.3(3) 2_665 . . . ?
C12 K3 N3 C10 73.0(3) . . . . ?
C12 K3 N3 C10 -126.6(3) 2_665 . . . ?
N3 K3 N3 C10 -161.6(3) 2_665 . . . ?
C10 K3 N3 C10 -169.65(19) 2_665 . . . ?
C11 K3 N3 C10 -149.9(3) 2_665 . . . ?
C11 K3 N3 C10 33.9(3) . . . . ?
O2 K3 N3 Zn2 110.2(2) 2_665 . . . ?
O2 K3 N3 Zn2 -112.9(2) . . . . ?
C13 K3 N3 Zn2 -103.5(3) . . . . ?
C13 K3 N3 Zn2 12.5(2) 2_665 . . . ?
C12 K3 N3 Zn2 -140.3(3) . . . . ?
C12 K3 N3 Zn2 20.2(2) 2_665 . . . ?
N3 K3 N3 Zn2 -14.86(11) 2_665 . . . ?
C10 K3 N3 Zn2 -22.9(2) 2_665 . . . ?
C10 K3 N3 Zn2 146.8(4) . . . . ?
C11 K3 N3 Zn2 -3.1(3) 2_665 . . . ?
C11 K3 N3 Zn2 -179.3(3) . . . . ?
O2 K3 N3 K2 -94.5(2) 2_665 . . . ?
O2 K3 N3 K2 42.5(3) . . . . ?
C13 K3 N3 K2 51.8(2) . . . . ?
C13 K3 N3 K2 167.8(2) 2_665 . . . ?
C12 K3 N3 K2 15.05(18) . . . . ?
C12 K3 N3 K2 175.5(2) 2_665 . . . ?
N3 K3 N3 K2 140.5(3) 2_665 . . . ?
C10 K3 N3 K2 132.4(2) 2_665 . . . ?
C10 K3 N3 K2 -57.9(3) . . . . ?
C11 K3 N3 K2 152.2(2) 2_665 . . . ?
C11 K3 N3 K2 -24.0(2) . . . . ?
C21 Zn2 N4 C14 -110.9(3) . . . . ?
N4 Zn2 N4 C14 107.2(3) 2_665 . . . ?
N3 Zn2 N4 C14 2.6(3) . . . . ?
Zn2 Zn2 N4 C14 110.1(3) 2_665 . . . ?
K2 Zn2 N4 C14 -53.3(3) . . . . ?
C21 Zn2 N4 C15 20.9(4) . . . . ?
N4 Zn2 N4 C15 -121.0(3) 2_665 . . . ?
N3 Zn2 N4 C15 134.4(3) . . . . ?
Zn2 Zn2 N4 C15 -118.1(3) 2_665 . . . ?
K2 Zn2 N4 C15 78.5(3) . . . . ?
C21 Zn2 N4 Zn2 139.07(17) . . . 2_665 ?
N4 Zn2 N4 Zn2 -2.91(17) 2_665 . . 2_665 ?
N3 Zn2 N4 Zn2 -107.51(13) . . . 2_665 ?
K2 Zn2 N4 Zn2 -163.37(8) . . . 2_665 ?
O1 K1 O1 C23 35.1(5) 2_575 . . . ?
C4 K1 O1 C23 169.1(5) 2_575 . . . ?
C4 K1 O1 C23 -88.1(5) . . . . ?
N1 K1 O1 C23 164.7(5) 2_575 . . . ?
N1 K1 O1 C23 -110.0(5) . . . . ?
C3 K1 O1 C23 146.7(5) 2_575 . . . ?
C3 K1 O1 C23 -63.9(5) . . . . ?
C1 K1 O1 C23 128.1(5) 2_575 . . . ?
C1 K1 O1 C23 -98.8(5) . . . . ?
C2 K1 O1 C23 123.5(5) 2_575 . . . ?
C2 K1 O1 C23 -72.4(5) . . . . ?
O1 K1 O1 C26 174.3(6) 2_575 . . . ?
C4 K1 O1 C26 -51.8(6) 2_575 . . . ?
C4 K1 O1 C26 51.0(6) . . . . ?
N1 K1 O1 C26 -56.1(6) 2_575 . . . ?
N1 K1 O1 C26 29.2(6) . . . . ?
C3 K1 O1 C26 -74.1(6) 2_575 . . . ?
C3 K1 O1 C26 75.3(6) . . . . ?
C1 K1 O1 C26 -92.8(6) 2_575 . . . ?
C1 K1 O1 C26 40.3(6) . . . . ?
C2 K1 O1 C26 -97.3(6) 2_575 . . . ?
C2 K1 O1 C26 66.8(6) . . . . ?
O2 K3 O2 C30 -78.8(5) 2_665 . . . ?
C13 K3 O2 C30 142.3(5) . . . . ?
C13 K3 O2 C30 47.2(6) 2_665 . . . ?
C12 K3 O2 C30 165.1(6) . . . . ?
C12 K3 O2 C30 19.1(6) 2_665 . . . ?
N3 K3 O2 C30 65.2(6) 2_665 . . . ?
N3 K3 O2 C30 146.5(5) . . . . ?
C10 K3 O2 C30 50.1(5) 2_665 . . . ?
C10 K3 O2 C30 179.4(5) . . . . ?
C11 K3 O2 C30 25.0(6) 2_665 . . . ?
C11 K3 O2 C30 -173.3(5) . . . . ?
O2 K3 O2 C27 122.4(6) 2_665 . . . ?
C13 K3 O2 C27 -16.5(5) . . . . ?
C13 K3 O2 C27 -111.6(5) 2_665 . . . ?
C12 K3 O2 C27 6.4(5) . . . . ?
C12 K3 O2 C27 -139.7(5) 2_665 . . . ?
N3 K3 O2 C27 -93.6(5) 2_665 . . . ?
N3 K3 O2 C27 -12.3(6) . . . . ?
C10 K3 O2 C27 -108.7(5) 2_665 . . . ?
C10 K3 O2 C27 20.7(6) . . . . ?
C11 K3 O2 C27 -133.8(5) 2_665 . . . ?
C11 K3 O2 C27 27.9(5) . . . . ?
C4 N1 C1 C2 0.9(5) . . . . ?
Zn1 N1 C1 C2 -152.8(4) . . . . ?
K2 N1 C1 C2 -74.3(4) . . . . ?
K1 N1 C1 C2 71.3(4) . . . . ?
C4 N1 C1 K2 75.2(3) . . . . ?
Zn1 N1 C1 K2 -78.5(4) . . . . ?
K1 N1 C1 K2 145.59(11) . . . . ?
C4 N1 C1 K1 -70.4(3) . . . . ?
Zn1 N1 C1 K1 136.0(4) . . . . ?
K2 N1 C1 K1 -145.59(11) . . . . ?
N3 K2 C1 N1 176.7(3) . . . . ?
C10 K2 C1 N1 104(6) . . . . ?
C13 K2 C1 N1 140.4(2) . . . . ?
C4 K2 C1 N1 -38.4(2) . . . . ?
C2 K2 C1 N1 -113.3(4) . . . . ?
C11 K2 C1 N1 66.6(4) . . . . ?
C3 K2 C1 N1 -76.2(3) . . . . ?
C12 K2 C1 N1 102.3(3) . . . . ?
C19 K2 C1 N1 55.5(2) . . . . ?
C21 K2 C1 N1 -126.3(2) . . . . ?
N1 K2 C1 C2 113.3(4) . . . . ?
N3 K2 C1 C2 -70.0(4) . . . . ?
C10 K2 C1 C2 -143(6) . . . . ?
C13 K2 C1 C2 -106.3(3) . . . . ?
C4 K2 C1 C2 74.9(3) . . . . ?
C11 K2 C1 C2 179.9(3) . . . . ?
C3 K2 C1 C2 37.1(3) . . . . ?
C12 K2 C1 C2 -144.4(3) . . . . ?
C19 K2 C1 C2 168.8(3) . . . . ?
C21 K2 C1 C2 -13.0(3) . . . . ?
N1 K2 C1 K1 50.0(2) . . . . ?
N3 K2 C1 K1 -133.3(2) . . . . ?
C10 K2 C1 K1 154(5) . . . . ?
C13 K2 C1 K1 -169.55(18) . . . . ?
C4 K2 C1 K1 11.65(18) . . . . ?
C2 K2 C1 K1 -63.3(3) . . . . ?
C11 K2 C1 K1 116.6(3) . . . . ?
C3 K2 C1 K1 -26.20(19) . . . . ?
C12 K2 C1 K1 152.3(2) . . . . ?
C19 K2 C1 K1 105.5(2) . . . . ?
C21 K2 C1 K1 -76.3(2) . . . . ?
O1 K1 C1 N1 -155.0(3) . . . . ?
O1 K1 C1 N1 104.4(3) 2_575 . . . ?
C4 K1 C1 N1 -46.7(3) 2_575 . . . ?
C4 K1 C1 N1 37.9(2) . . . . ?
N1 K1 C1 N1 -20.5(3) 2_575 . . . ?
C3 K1 C1 N1 -63.2(3) 2_575 . . . ?
C3 K1 C1 N1 76.7(3) . . . . ?
C1 K1 C1 N1 -14.3(2) 2_575 . . . ?
C2 K1 C1 N1 -44.9(4) 2_575 . . . ?
C2 K1 C1 N1 114.2(4) . . . . ?
O1 K1 C1 C2 90.8(3) . . . . ?
O1 K1 C1 C2 -9.8(4) 2_575 . . . ?
C4 K1 C1 C2 -160.9(3) 2_575 . . . ?
C4 K1 C1 C2 -76.3(3) . . . . ?
N1 K1 C1 C2 -134.7(3) 2_575 . . . ?
N1 K1 C1 C2 -114.2(4) . . . . ?
C3 K1 C1 C2 -177.4(3) 2_575 . . . ?
C3 K1 C1 C2 -37.5(3) . . . . ?
C1 K1 C1 C2 -128.5(3) 2_575 . . . ?
C2 K1 C1 C2 -159.1(2) 2_575 . . . ?
O1 K1 C1 K2 155.2(3) . . . . ?
O1 K1 C1 K2 54.6(3) 2_575 . . . ?
C4 K1 C1 K2 -96.5(2) 2_575 . . . ?
C4 K1 C1 K2 -11.84(19) . . . . ?
N1 K1 C1 K2 -70.3(2) 2_575 . . . ?
N1 K1 C1 K2 -49.7(2) . . . . ?
C3 K1 C1 K2 -113.0(2) 2_575 . . . ?
C3 K1 C1 K2 26.9(2) . . . . ?
C1 K1 C1 K2 -64.0(2) 2_575 . . . ?
C2 K1 C1 K2 -94.6(3) 2_575 . . . ?
C2 K1 C1 K2 64.4(3) . . . . ?
N1 C1 C2 C3 -0.9(5) . . . . ?
K2 C1 C2 C3 -70.8(3) . . . . ?
K1 C1 C2 C3 68.5(3) . . . . ?
N1 C1 C2 K1 -69.5(3) . . . . ?
K2 C1 C2 K1 -139.35(13) . . . . ?
N1 C1 C2 K2 69.9(3) . . . . ?
K1 C1 C2 K2 139.35(13) . . . . ?
O1 K1 C2 C1 -86.5(3) . . . . ?
O1 K1 C2 C1 172.6(3) 2_575 . . . ?
C4 K1 C2 C1 21.8(3) 2_575 . . . ?
C4 K1 C2 C1 74.6(3) . . . . ?
N1 K1 C2 C1 51.7(3) 2_575 . . . ?
N1 K1 C2 C1 35.5(3) . . . . ?
C3 K1 C2 C1 3.7(4) 2_575 . . . ?
C3 K1 C2 C1 111.5(4) . . . . ?
C1 K1 C2 C1 71.9(4) 2_575 . . . ?
C2 K1 C2 C1 44.7(3) 2_575 . . . ?
O1 K1 C2 C3 162.0(3) . . . . ?
O1 K1 C2 C3 61.1(3) 2_575 . . . ?
C4 K1 C2 C3 -89.7(3) 2_575 . . . ?
C4 K1 C2 C3 -36.9(3) . . . . ?
N1 K1 C2 C3 -59.8(3) 2_575 . . . ?
N1 K1 C2 C3 -76.0(3) . . . . ?
C3 K1 C2 C3 -107.8(4) 2_575 . . . ?
C1 K1 C2 C3 -39.6(4) 2_575 . . . ?
C1 K1 C2 C3 -111.5(4) . . . . ?
C2 K1 C2 C3 -66.8(3) 2_575 . . . ?
O1 K1 C2 K2 -139.5(2) . . . . ?
O1 K1 C2 K2 119.6(2) 2_575 . . . ?
C4 K1 C2 K2 -31.1(3) 2_575 . . . ?
C4 K1 C2 K2 21.62(18) . . . . ?
N1 K1 C2 K2 -1.2(3) 2_575 . . . ?
N1 K1 C2 K2 -17.49(15) . . . . ?
C3 K1 C2 K2 -49.2(3) 2_575 . . . ?
C3 K1 C2 K2 58.5(3) . . . . ?
C1 K1 C2 K2 18.9(3) 2_575 . . . ?
C1 K1 C2 K2 -53.0(3) . . . . ?
C2 K1 C2 K2 -8.3(2) 2_575 . . . ?
N1 K2 C2 C1 -36.3(2) . . . . ?
N3 K2 C2 C1 141.5(3) . . . . ?
C10 K2 C2 C1 178.0(3) . . . . ?
C13 K2 C2 C1 102.3(3) . . . . ?
C4 K2 C2 C1 -75.7(3) . . . . ?
C11 K2 C2 C1 -6(25) . . . . ?
C3 K2 C2 C1 -111.4(4) . . . . ?
C12 K2 C2 C1 65.5(4) . . . . ?
C19 K2 C2 C1 -11.4(3) . . . . ?
C21 K2 C2 C1 167.0(3) . . . . ?
N1 K2 C2 C3 75.1(3) . . . . ?
N3 K2 C2 C3 -107.1(3) . . . . ?
C10 K2 C2 C3 -70.6(4) . . . . ?
C1 K2 C2 C3 111.4(4) . . . . ?
C13 K2 C2 C3 -146.3(3) . . . . ?
C4 K2 C2 C3 35.7(3) . . . . ?
C11 K2 C2 C3 106(24) . . . . ?
C12 K2 C2 C3 176.9(3) . . . . ?
C19 K2 C2 C3 100.0(3) . . . . ?
C21 K2 C2 C3 -81.6(3) . . . . ?
N1 K2 C2 K1 17.83(15) . . . . ?
N3 K2 C2 K1 -164.37(16) . . . . ?
C10 K2 C2 K1 -127.9(3) . . . . ?
C1 K2 C2 K1 54.2(3) . . . . ?
C13 K2 C2 K1 156.47(18) . . . . ?
C4 K2 C2 K1 -21.51(17) . . . . ?
C11 K2 C2 K1 48(25) . . . . ?
C3 K2 C2 K1 -57.2(3) . . . . ?
C12 K2 C2 K1 119.7(3) . . . . ?
C19 K2 C2 K1 42.8(2) . . . . ?
C21 K2 C2 K1 -138.9(2) . . . . ?
C1 C2 C3 C4 0.6(5) . . . . ?
K1 C2 C3 C4 70.3(3) . . . . ?
K2 C2 C3 C4 -66.8(3) . . . . ?
C1 C2 C3 K1 -69.6(3) . . . . ?
K2 C2 C3 K1 -137.10(13) . . . . ?
C1 C2 C3 K2 67.5(3) . . . . ?
K1 C2 C3 K2 137.10(13) . . . . ?
O1 K1 C3 C4 -130.6(3) . . . . ?
O1 K1 C3 C4 125.1(3) 2_575 . . . ?
C4 K1 C3 C4 -7.3(4) 2_575 . . . ?
N1 K1 C3 C4 16.6(3) 2_575 . . . ?
N1 K1 C3 C4 -36.3(2) . . . . ?
C3 K1 C3 C4 -4.9(2) 2_575 . . . ?
C1 K1 C3 C4 40.0(3) 2_575 . . . ?
C1 K1 C3 C4 -74.4(3) . . . . ?
C2 K1 C3 C4 38.2(4) 2_575 . . . ?
C2 K1 C3 C4 -111.4(4) . . . . ?
O1 K1 C3 C2 -19.2(3) . . . . ?
O1 K1 C3 C2 -123.5(3) 2_575 . . . ?
C4 K1 C3 C2 104.1(3) 2_575 . . . ?
C4 K1 C3 C2 111.4(4) . . . . ?
N1 K1 C3 C2 128.0(3) 2_575 . . . ?
N1 K1 C3 C2 75.1(3) . . . . ?
C3 K1 C3 C2 106.5(3) 2_575 . . . ?
C1 K1 C3 C2 151.4(3) 2_575 . . . ?
C1 K1 C3 C2 37.0(3) . . . . ?
C2 K1 C3 C2 149.6(3) 2_575 . . . ?
O1 K1 C3 K2 -80.5(2) . . . . ?
O1 K1 C3 K2 175.2(2) 2_575 . . . ?
C4 K1 C3 K2 42.7(3) 2_575 . . . ?
C4 K1 C3 K2 50.0(2) . . . . ?
N1 K1 C3 K2 66.6(2) 2_575 . . . ?
N1 K1 C3 K2 13.70(15) . . . . ?
C3 K1 C3 K2 45.10(18) 2_575 . . . ?
C1 K1 C3 K2 90.0(2) 2_575 . . . ?
C1 K1 C3 K2 -24.34(18) . . . . ?
C2 K1 C3 K2 88.2(3) 2_575 . . . ?
C2 K1 C3 K2 -61.4(3) . . . . ?
N1 K2 C3 C4 36.7(3) . . . . ?
N3 K2 C3 C4 -144.6(3) . . . . ?
C10 K2 C3 C4 -104.2(3) . . . . ?
C1 K2 C3 C4 75.8(3) . . . . ?
C13 K2 C3 C4 176.9(3) . . . . ?
C2 K2 C3 C4 113.2(4) . . . . ?
C11 K2 C3 C4 -66.1(4) . . . . ?
C12 K2 C3 C4 25(6) . . . . ?
C19 K2 C3 C4 25.8(3) . . . . ?
C21 K2 C3 C4 -155.4(3) . . . . ?
N1 K2 C3 C2 -76.5(3) . . . . ?
N3 K2 C3 C2 102.2(3) . . . . ?
C10 K2 C3 C2 142.6(3) . . . . ?
C1 K2 C3 C2 -37.4(3) . . . . ?
C13 K2 C3 C2 63.7(4) . . . . ?
C4 K2 C3 C2 -113.2(4) . . . . ?
C11 K2 C3 C2 -179.3(4) . . . . ?
C12 K2 C3 C2 -88(6) . . . . ?
C19 K2 C3 C2 -87.4(3) . . . . ?
C21 K2 C3 C2 91.4(3) . . . . ?
N1 K2 C3 K1 -14.11(15) . . . . ?
N3 K2 C3 K1 164.58(16) . . . . ?
C10 K2 C3 K1 -155.02(18) . . . . ?
C1 K2 C3 K1 24.98(18) . . . . ?
C13 K2 C3 K1 126.1(3) . . . . ?
C4 K2 C3 K1 -50.8(3) . . . . ?
C2 K2 C3 K1 62.4(3) . . . . ?
C11 K2 C3 K1 -116.9(3) . . . . ?
C12 K2 C3 K1 -25(6) . . . . ?
C19 K2 C3 K1 -25.0(2) . . . . ?
C21 K2 C3 K1 153.9(2) . . . . ?
C2 C3 C4 N1 -0.1(5) . . . . ?
K1 C3 C4 N1 73.2(3) . . . . ?
K2 C3 C4 N1 -69.6(3) . . . . ?
C2 C3 C4 C5 -176.6(5) . . . . ?
K1 C3 C4 C5 -103.3(5) . . . . ?
K2 C3 C4 C5 114.0(5) . . . . ?
C2 C3 C4 K1 -73.3(3) . . . . ?
K2 C3 C4 K1 -142.74(13) . . . . ?
C2 C3 C4 K2 69.4(4) . . . . ?
K1 C3 C4 K2 142.74(13) . . . . ?
C1 N1 C4 C3 -0.5(5) . . . . ?
Zn1 N1 C4 C3 160.8(3) . . . . ?
K2 N1 C4 C3 74.6(3) . . . . ?
K1 N1 C4 C3 -73.5(3) . . . . ?
C1 N1 C4 C5 176.5(4) . . . . ?
Zn1 N1 C4 C5 -22.2(5) . . . . ?
K2 N1 C4 C5 -108.4(4) . . . . ?
K1 N1 C4 C5 103.5(4) . . . . ?
C1 N1 C4 K1 73.1(3) . . . . ?
Zn1 N1 C4 K1 -125.70(19) . . . . ?
K2 N1 C4 K1 148.16(11) . . . . ?
C1 N1 C4 K2 -75.1(3) . . . . ?
Zn1 N1 C4 K2 86.13(18) . . . . ?
K1 N1 C4 K2 -148.16(11) . . . . ?
O1 K1 C4 C3 60.9(3) . . . . ?
O1 K1 C4 C3 -59.4(3) 2_575 . . . ?
C4 K1 C4 C3 173.4(3) 2_575 . . . ?
N1 K1 C4 C3 -163.3(3) 2_575 . . . ?
N1 K1 C4 C3 113.7(4) . . . . ?
C3 K1 C4 C3 176.59(17) 2_575 . . . ?
C1 K1 C4 C3 -144.2(3) 2_575 . . . ?
C1 K1 C4 C3 76.8(3) . . . . ?
C2 K1 C4 C3 -153.7(3) 2_575 . . . ?
C2 K1 C4 C3 37.7(3) . . . . ?
O1 K1 C4 N1 -52.8(3) . . . . ?
O1 K1 C4 N1 -173.1(2) 2_575 . . . ?
C4 K1 C4 N1 59.7(2) 2_575 . . . ?
N1 K1 C4 N1 83.0(3) 2_575 . . . ?
C3 K1 C4 N1 62.9(3) 2_575 . . . ?
C3 K1 C4 N1 -113.7(4) . . . . ?
C1 K1 C4 N1 102.1(2) 2_575 . . . ?
C1 K1 C4 N1 -36.9(2) . . . . ?
C2 K1 C4 N1 92.6(3) 2_575 . . . ?
C2 K1 C4 N1 -76.0(3) . . . . ?
O1 K1 C4 C5 -169.0(3) . . . . ?
O1 K1 C4 C5 70.7(3) 2_575 . . . ?
C4 K1 C4 C5 -56.6(2) 2_575 . . . ?
N1 K1 C4 C5 -33.2(3) 2_575 . . . ?
N1 K1 C4 C5 -116.2(4) . . . . ?
C3 K1 C4 C5 -53.3(3) 2_575 . . . ?
C3 K1 C4 C5 130.1(4) . . . . ?
C1 K1 C4 C5 -14.1(3) 2_575 . . . ?
C1 K1 C4 C5 -153.2(4) . . . . ?
C2 K1 C4 C5 -23.6(3) 2_575 . . . ?
C2 K1 C4 C5 167.8(4) . . . . ?
O1 K1 C4 K2 -3.2(3) . . . . ?
O1 K1 C4 K2 -123.5(3) 2_575 . . . ?
C4 K1 C4 K2 109.3(3) 2_575 . . . ?
N1 K1 C4 K2 132.6(3) 2_575 . . . ?
N1 K1 C4 K2 49.6(2) . . . . ?
C3 K1 C4 K2 112.5(2) 2_575 . . . ?
C3 K1 C4 K2 -64.1(3) . . . . ?
C1 K1 C4 K2 151.7(3) 2_575 . . . ?
C1 K1 C4 K2 12.7(2) . . . . ?
C2 K1 C4 K2 142.2(2) 2_575 . . . ?
C2 K1 C4 K2 -26.4(2) . . . . ?
N1 K2 C4 C3 -114.1(4) . . . . ?
N3 K2 C4 C3 66.0(4) . . . . ?
C10 K2 C4 C3 105.3(3) . . . . ?
C1 K2 C4 C3 -76.0(3) . . . . ?
C13 K2 C4 C3 -112(5) . . . . ?
C2 K2 C4 C3 -36.7(3) . . . . ?
C11 K2 C4 C3 143.7(3) . . . . ?
C12 K2 C4 C3 -178.7(3) . . . . ?
C19 K2 C4 C3 -155.3(3) . . . . ?
C21 K2 C4 C3 23.9(3) . . . . ?
N3 K2 C4 N1 -179.9(3) . . . . ?
C10 K2 C4 N1 -140.6(2) . . . . ?
C1 K2 C4 N1 38.0(2) . . . . ?
C13 K2 C4 N1 2(5) . . . . ?
C2 K2 C4 N1 77.3(3) . . . . ?
C11 K2 C4 N1 -102.2(3) . . . . ?
C3 K2 C4 N1 114.1(4) . . . . ?
C12 K2 C4 N1 -64.7(4) . . . . ?
C19 K2 C4 N1 -41.2(2) . . . . ?
C21 K2 C4 N1 137.9(2) . . . . ?
N1 K2 C4 C5 114.3(4) . . . . ?
N3 K2 C4 C5 -65.6(4) . . . . ?
C10 K2 C4 C5 -26.3(4) . . . . ?
C1 K2 C4 C5 152.4(4) . . . . ?
C13 K2 C4 C5 117(5) . . . . ?
C2 K2 C4 C5 -168.3(4) . . . . ?
C11 K2 C4 C5 12.1(4) . . . . ?
C3 K2 C4 C5 -131.6(5) . . . . ?
C12 K2 C4 C5 49.7(5) . . . . ?
C19 K2 C4 C5 73.1(3) . . . . ?
C21 K2 C4 C5 -107.7(3) . . . . ?
N1 K2 C4 K1 -50.9(2) . . . . ?
N3 K2 C4 K1 129.2(3) . . . . ?
C10 K2 C4 K1 168.5(2) . . . . ?
C1 K2 C4 K1 -12.9(2) . . . . ?
C13 K2 C4 K1 -49(5) . . . . ?
C2 K2 C4 K1 26.4(2) . . . . ?
C11 K2 C4 K1 -153.1(2) . . . . ?
C3 K2 C4 K1 63.2(3) . . . . ?
C12 K2 C4 K1 -115.6(3) . . . . ?
C19 K2 C4 K1 -92.1(3) . . . . ?
C21 K2 C4 K1 87.0(3) . . . . ?
C6 N2 C5 C4 126.1(4) . . . . ?
Zn1 N2 C5 C4 -102.2(3) 2_575 . . . ?
Zn1 N2 C5 C4 -9.0(4) . . . . ?
C3 C4 C5 N2 -162.4(5) . . . . ?
N1 C4 C5 N2 21.4(5) . . . . ?
K1 C4 C5 N2 107.3(3) . . . . ?
K2 C4 C5 N2 -62.5(4) . . . . ?
C5 N2 C6 C9 -62.0(5) . . . . ?
Zn1 N2 C6 C9 169.8(3) 2_575 . . . ?
Zn1 N2 C6 C9 69.1(4) . . . . ?
C5 N2 C6 C7 60.7(5) . . . . ?
Zn1 N2 C6 C7 -67.5(4) 2_575 . . . ?
Zn1 N2 C6 C7 -168.2(3) . . . . ?
C5 N2 C6 C8 179.4(4) . . . . ?
Zn1 N2 C6 C8 51.2(4) 2_575 . . . ?
Zn1 N2 C6 C8 -49.5(4) . . . . ?
C13 N3 C10 C11 2.1(5) . . . . ?
Zn2 N3 C10 C11 149.3(4) . . . . ?
K2 N3 C10 C11 75.3(4) . . . . ?
K3 N3 C10 C11 -69.7(4) . . . . ?
C13 N3 C10 K2 -73.2(3) . . . . ?
Zn2 N3 C10 K2 74.0(4) . . . . ?
K3 N3 C10 K2 -145.00(12) . . . . ?
C13 N3 C10 K3 71.8(3) . . . . ?
Zn2 N3 C10 K3 -141.0(4) . . . . ?
K2 N3 C10 K3 145.00(12) . . . . ?
N1 K2 C10 C11 62.0(4) . . . . ?
N3 K2 C10 C11 -114.6(4) . . . . ?
C1 K2 C10 C11 -39(6) . . . . ?
C13 K2 C10 C11 -76.5(3) . . . . ?
C4 K2 C10 C11 102.2(3) . . . . ?
C2 K2 C10 C11 179.9(3) . . . . ?
C3 K2 C10 C11 141.1(3) . . . . ?
C12 K2 C10 C11 -37.4(3) . . . . ?
C19 K2 C10 C11 9.2(3) . . . . ?
C21 K2 C10 C11 -169.1(3) . . . . ?
N1 K2 C10 N3 176.6(3) . . . . ?
C1 K2 C10 N3 76(6) . . . . ?
C13 K2 C10 N3 38.1(2) . . . . ?
C4 K2 C10 N3 -143.2(3) . . . . ?
C2 K2 C10 N3 -65.5(4) . . . . ?
C11 K2 C10 N3 114.6(4) . . . . ?
C3 K2 C10 N3 -104.4(3) . . . . ?
C12 K2 C10 N3 77.2(3) . . . . ?
C19 K2 C10 N3 123.7(3) . . . . ?
C21 K2 C10 N3 -54.5(3) . . . . ?
N1 K2 C10 K3 126.3(2) . . . . ?
N3 K2 C10 K3 -50.3(2) . . . . ?
C1 K2 C10 K3 26(6) . . . . ?
C13 K2 C10 K3 -12.26(18) . . . . ?
C4 K2 C10 K3 166.47(18) . . . . ?
C2 K2 C10 K3 -115.8(3) . . . . ?
C11 K2 C10 K3 64.2(3) . . . . ?
C3 K2 C10 K3 -154.71(19) . . . . ?
C12 K2 C10 K3 26.84(19) . . . . ?
C19 K2 C10 K3 73.4(2) . . . . ?
C21 K2 C10 K3 -104.9(2) . . . . ?
O2 K3 C10 C11 -98.3(3) 2_665 . . . ?
O2 K3 C10 C11 16.6(4) . . . . ?
C13 K3 C10 C11 78.3(3) . . . . ?
C13 K3 C10 C11 160.4(3) 2_665 . . . ?
C12 K3 C10 C11 38.0(3) . . . . ?
C12 K3 C10 C11 177.1(3) 2_665 . . . ?
N3 K3 C10 C11 134.4(3) 2_665 . . . ?
N3 K3 C10 C11 116.7(4) . . . . ?
C10 K3 C10 C11 129.0(3) 2_665 . . . ?
C11 K3 C10 C11 157.9(3) 2_665 . . . ?
O2 K3 C10 N3 145.0(3) 2_665 . . . ?
O2 K3 C10 N3 -100.0(3) . . . . ?
C13 K3 C10 N3 -38.4(3) . . . . ?
C13 K3 C10 N3 43.7(3) 2_665 . . . ?
C12 K3 C10 N3 -78.7(3) . . . . ?
C12 K3 C10 N3 60.4(3) 2_665 . . . ?
N3 K3 C10 N3 17.8(3) 2_665 . . . ?
C10 K3 C10 N3 12.3(2) 2_665 . . . ?
C11 K3 C10 N3 41.2(4) 2_665 . . . ?
C11 K3 C10 N3 -116.7(4) . . . . ?
O2 K3 C10 K2 -164.2(2) 2_665 . . . ?
O2 K3 C10 K2 -49.2(3) . . . . ?
C13 K3 C10 K2 12.46(18) . . . . ?
C13 K3 C10 K2 94.6(2) 2_665 . . . ?
C12 K3 C10 K2 -27.8(2) . . . . ?
C12 K3 C10 K2 111.2(2) 2_665 . . . ?
N3 K3 C10 K2 68.6(2) 2_665 . . . ?
N3 K3 C10 K2 50.9(2) . . . . ?
C10 K3 C10 K2 63.2(2) 2_665 . . . ?
C11 K3 C10 K2 92.1(3) 2_665 . . . ?
C11 K3 C10 K2 -65.8(3) . . . . ?
N3 C10 C11 C12 -0.6(6) . . . . ?
K2 C10 C11 C12 70.7(4) . . . . ?
K3 C10 C11 C12 -68.0(3) . . . . ?
N3 C10 C11 K3 67.4(3) . . . . ?
K2 C10 C11 K3 138.66(13) . . . . ?
N3 C10 C11 K2 -71.3(3) . . . . ?
K3 C10 C11 K2 -138.66(13) . . . . ?
O2 K3 C11 C10 80.4(3) 2_665 . . . ?
O2 K3 C11 C10 -166.5(3) . . . . ?
C13 K3 C11 C10 -73.6(3) . . . . ?
C13 K3 C11 C10 -22.0(4) 2_665 . . . ?
C12 K3 C11 C10 -111.6(4) . . . . ?
C12 K3 C11 C10 -4.1(4) 2_665 . . . ?
N3 K3 C11 C10 -51.3(3) 2_665 . . . ?
N3 K3 C11 C10 -34.8(3) . . . . ?
C10 K3 C11 C10 -69.9(4) 2_665 . . . ?
C11 K3 C11 C10 -44.2(3) 2_665 . . . ?
O2 K3 C11 C12 -168.0(3) 2_665 . . . ?
O2 K3 C11 C12 -54.9(3) . . . . ?
C13 K3 C11 C12 38.1(3) . . . . ?
C13 K3 C11 C12 89.6(3) 2_665 . . . ?
C12 K3 C11 C12 107.5(4) 2_665 . . . ?
N3 K3 C11 C12 60.3(3) 2_665 . . . ?
N3 K3 C11 C12 76.8(3) . . . . ?
C10 K3 C11 C12 41.7(4) 2_665 . . . ?
C10 K3 C11 C12 111.6(4) . . . . ?
C11 K3 C11 C12 67.4(3) 2_665 . . . ?
O2 K3 C11 K2 134.4(3) 2_665 . . . ?
O2 K3 C11 K2 -112.5(3) . . . . ?
C13 K3 C11 K2 -19.52(18) . . . . ?
C13 K3 C11 K2 32.0(3) 2_665 . . . ?
C12 K3 C11 K2 -57.6(3) . . . . ?
C12 K3 C11 K2 49.9(4) 2_665 . . . ?
N3 K3 C11 K2 2.7(3) 2_665 . . . ?
N3 K3 C11 K2 19.27(17) . . . . ?
C10 K3 C11 K2 -15.8(4) 2_665 . . . ?
C10 K3 C11 K2 54.1(3) . . . . ?
C11 K3 C11 K2 9.9(2) 2_665 . . . ?
N1 K2 C11 C10 -145.9(3) . . . . ?
N3 K2 C11 C10 36.3(3) . . . . ?
C1 K2 C11 C10 178.0(3) . . . . ?
C13 K2 C11 C10 75.3(3) . . . . ?
C4 K2 C11 C10 -106.7(3) . . . . ?
C2 K2 C11 C10 -176(100) . . . . ?
C3 K2 C11 C10 -71.3(4) . . . . ?
C12 K2 C11 C10 111.8(4) . . . . ?
C19 K2 C11 C10 -170.7(3) . . . . ?
C21 K2 C11 C10 11.0(3) . . . . ?
N1 K2 C11 C12 102.3(3) . . . . ?
N3 K2 C11 C12 -75.5(3) . . . . ?
C10 K2 C11 C12 -111.8(4) . . . . ?
C1 K2 C11 C12 66.3(4) . . . . ?
C13 K2 C11 C12 -36.5(3) . . . . ?
C4 K2 C11 C12 141.5(3) . . . . ?
C2 K2 C11 C12 72(25) . . . . ?
C3 K2 C11 C12 176.9(3) . . . . ?
C19 K2 C11 C12 77.6(3) . . . . ?
C21 K2 C11 C12 -100.8(3) . . . . ?
N1 K2 C11 K3 158.33(17) . . . . ?
N3 K2 C11 K3 -19.49(17) . . . . ?
C10 K2 C11 K3 -55.8(3) . . . . ?
C1 K2 C11 K3 122.2(3) . . . . ?
C13 K2 C11 K3 19.52(18) . . . . ?
C4 K2 C11 K3 -162.50(18) . . . . ?
C2 K2 C11 K3 128(24) . . . . ?
C3 K2 C11 K3 -127.1(3) . . . . ?
C12 K2 C11 K3 56.0(3) . . . . ?
C19 K2 C11 K3 133.5(3) . . . . ?
C21 K2 C11 K3 -44.8(3) . . . . ?
C10 C11 C12 C13 -1.1(6) . . . . ?
K3 C11 C12 C13 -71.5(3) . . . . ?
K2 C11 C12 C13 66.2(3) . . . . ?
C10 C11 C12 K3 70.5(4) . . . . ?
K2 C11 C12 K3 137.70(14) . . . . ?
C10 C11 C12 K2 -67.2(4) . . . . ?
K3 C11 C12 K2 -137.70(14) . . . . ?
O2 K3 C12 C13 123.7(3) 2_665 . . . ?
O2 K3 C12 C13 -122.5(3) . . . . ?
C13 K3 C12 C13 7.2(4) 2_665 . . . ?
C12 K3 C12 C13 4.8(2) 2_665 . . . ?
N3 K3 C12 C13 -16.5(3) 2_665 . . . ?
N3 K3 C12 C13 36.0(2) . . . . ?
C10 K3 C12 C13 -39.3(3) 2_665 . . . ?
C10 K3 C12 C13 74.3(3) . . . . ?
C11 K3 C12 C13 -37.4(4) 2_665 . . . ?
C11 K3 C12 C13 110.4(4) . . . . ?
O2 K3 C12 C11 13.3(3) 2_665 . . . ?
O2 K3 C12 C11 127.1(3) . . . . ?
C13 K3 C12 C11 -110.4(4) . . . . ?
C13 K3 C12 C11 -103.2(3) 2_665 . . . ?
C12 K3 C12 C11 -105.5(3) 2_665 . . . ?
N3 K3 C12 C11 -126.9(3) 2_665 . . . ?
N3 K3 C12 C11 -74.4(3) . . . . ?
C10 K3 C12 C11 -149.7(3) 2_665 . . . ?
C10 K3 C12 C11 -36.1(3) . . . . ?
C11 K3 C12 C11 -147.7(3) 2_665 . . . ?
O2 K3 C12 K2 74.9(3) 2_665 . . . ?
O2 K3 C12 K2 -171.3(2) . . . . ?
C13 K3 C12 K2 -48.7(2) . . . . ?
C13 K3 C12 K2 -41.5(3) 2_665 . . . ?
C12 K3 C12 K2 -43.88(18) 2_665 . . . ?
N3 K3 C12 K2 -65.3(2) 2_665 . . . ?
N3 K3 C12 K2 -12.71(15) . . . . ?
C10 K3 C12 K2 -88.0(2) 2_665 . . . ?
C10 K3 C12 K2 25.56(18) . . . . ?
C11 K3 C12 K2 -86.1(3) 2_665 . . . ?
C11 K3 C12 K2 61.7(3) . . . . ?
N1 K2 C12 C13 141.8(3) . . . . ?
N3 K2 C12 C13 -36.9(3) . . . . ?
C10 K2 C12 C13 -76.4(3) . . . . ?
C1 K2 C12 C13 103.5(3) . . . . ?
C4 K2 C12 C13 177.0(3) . . . . ?
C2 K2 C12 C13 67.8(5) . . . . ?
C11 K2 C12 C13 -113.0(5) . . . . ?
C3 K2 C12 C13 153(6) . . . . ?
C19 K2 C12 C13 152.4(3) . . . . ?
C21 K2 C12 C13 -26.4(3) . . . . ?
N1 K2 C12 C11 -105.2(3) . . . . ?
N3 K2 C12 C11 76.1(3) . . . . ?
C10 K2 C12 C11 36.6(3) . . . . ?
C1 K2 C12 C11 -143.5(3) . . . . ?
C13 K2 C12 C11 113.0(5) . . . . ?
C4 K2 C12 C11 -70.0(5) . . . . ?
C2 K2 C12 C11 -179.3(4) . . . . ?
C3 K2 C12 C11 -94(6) . . . . ?
C19 K2 C12 C11 -94.6(3) . . . . ?
C21 K2 C12 C11 86.5(3) . . . . ?
N1 K2 C12 K3 -168.26(16) . . . . ?
N3 K2 C12 K3 13.03(16) . . . . ?
C10 K2 C12 K3 -26.47(19) . . . . ?
C1 K2 C12 K3 153.48(19) . . . . ?
C13 K2 C12 K3 49.9(3) . . . . ?
C4 K2 C12 K3 -133.0(3) . . . . ?
C2 K2 C12 K3 117.7(3) . . . . ?
C11 K2 C12 K3 -63.0(3) . . . . ?
C3 K2 C12 K3 -157(6) . . . . ?
C19 K2 C12 K3 -157.7(2) . . . . ?
C21 K2 C12 K3 23.5(3) . . . . ?
C10 N3 C13 C12 -2.7(5) . . . . ?
Zn2 N3 C13 C12 -160.2(3) . . . . ?
K2 N3 C13 C12 -75.8(3) . . . . ?
K3 N3 C13 C12 72.0(3) . . . . ?
C10 N3 C13 C14 -178.6(4) . . . . ?
Zn2 N3 C13 C14 23.9(5) . . . . ?
K2 N3 C13 C14 108.3(4) . . . . ?
K3 N3 C13 C14 -103.8(4) . . . . ?
C10 N3 C13 K3 -74.8(3) . . . . ?
Zn2 N3 C13 K3 127.74(18) . . . . ?
K2 N3 C13 K3 -147.88(11) . . . . ?
C10 N3 C13 K2 73.1(3) . . . . ?
Zn2 N3 C13 K2 -84.38(18) . . . . ?
K3 N3 C13 K2 147.88(11) . . . . ?
C11 C12 C13 N3 2.4(5) . . . . ?
K3 C12 C13 N3 -72.3(3) . . . . ?
K2 C12 C13 N3 71.7(3) . . . . ?
C11 C12 C13 C14 177.6(5) . . . . ?
K3 C12 C13 C14 102.9(5) . . . . ?
K2 C12 C13 C14 -113.1(5) . . . . ?
C11 C12 C13 K3 74.7(4) . . . . ?
K2 C12 C13 K3 144.00(13) . . . . ?
C11 C12 C13 K2 -69.3(4) . . . . ?
K3 C12 C13 K2 -144.00(13) . . . . ?
O2 K3 C13 N3 42.0(3) 2_665 . . . ?
O2 K3 C13 N3 172.5(2) . . . . ?
C13 K3 C13 N3 -60.1(2) 2_665 . . . ?
C12 K3 C13 N3 113.2(4) . . . . ?
C12 K3 C13 N3 -63.4(3) 2_665 . . . ?
N3 K3 C13 N3 -83.7(3) 2_665 . . . ?
C10 K3 C13 N3 -102.0(2) 2_665 . . . ?
C10 K3 C13 N3 37.8(2) . . . . ?
C11 K3 C13 N3 -92.7(3) 2_665 . . . ?
C11 K3 C13 N3 75.5(3) . . . . ?
O2 K3 C13 C12 -71.2(3) 2_665 . . . ?
O2 K3 C13 C12 59.2(3) . . . . ?
C13 K3 C13 C12 -173.4(3) 2_665 . . . ?
C12 K3 C13 C12 -176.64(17) 2_665 . . . ?
N3 K3 C13 C12 163.1(3) 2_665 . . . ?
N3 K3 C13 C12 -113.2(4) . . . . ?
C10 K3 C13 C12 144.8(3) 2_665 . . . ?
C10 K3 C13 C12 -75.4(3) . . . . ?
C11 K3 C13 C12 154.1(3) 2_665 . . . ?
C11 K3 C13 C12 -37.7(3) . . . . ?
O2 K3 C13 C14 159.6(3) 2_665 . . . ?
O2 K3 C13 C14 -70.0(3) . . . . ?
C13 K3 C13 C14 57.4(2) 2_665 . . . ?
C12 K3 C13 C14 -129.2(4) . . . . ?
C12 K3 C13 C14 54.1(3) 2_665 . . . ?
N3 K3 C13 C14 33.9(3) 2_665 . . . ?
N3 K3 C13 C14 117.5(4) . . . . ?
C10 K3 C13 C14 15.6(3) 2_665 . . . ?
C10 K3 C13 C14 155.4(4) . . . . ?
C11 K3 C13 C14 24.8(3) 2_665 . . . ?
C11 K3 C13 C14 -167.0(4) . . . . ?
O2 K3 C13 K2 -9.3(3) 2_665 . . . ?
O2 K3 C13 K2 121.1(3) . . . . ?
C13 K3 C13 K2 -111.5(3) 2_665 . . . ?
C12 K3 C13 K2 61.9(3) . . . . ?
C12 K3 C13 K2 -114.8(2) 2_665 . . . ?
N3 K3 C13 K2 -135.0(3) 2_665 . . . ?
N3 K3 C13 K2 -51.4(2) . . . . ?
C10 K3 C13 K2 -153.3(3) 2_665 . . . ?
C10 K3 C13 K2 -13.5(2) . . . . ?
C11 K3 C13 K2 -144.1(2) 2_665 . . . ?
C11 K3 C13 K2 24.1(2) . . . . ?
N1 K2 C13 N3 -179.9(2) . . . . ?
C10 K2 C13 N3 -38.2(2) . . . . ?
C1 K2 C13 N3 143.0(3) . . . . ?
C4 K2 C13 N3 178(100) . . . . ?
C2 K2 C13 N3 104.3(3) . . . . ?
C11 K2 C13 N3 -76.1(3) . . . . ?
C3 K2 C13 N3 69.0(4) . . . . ?
C12 K2 C13 N3 -112.5(4) . . . . ?
C19 K2 C13 N3 -138.7(2) . . . . ?
C21 K2 C13 N3 42.1(2) . . . . ?
N1 K2 C13 C12 -67.4(4) . . . . ?
N3 K2 C13 C12 112.5(4) . . . . ?
C10 K2 C13 C12 74.3(3) . . . . ?
C1 K2 C13 C12 -104.5(3) . . . . ?
C4 K2 C13 C12 -70(5) . . . . ?
C2 K2 C13 C12 -143.2(3) . . . . ?
C11 K2 C13 C12 36.4(3) . . . . ?
C3 K2 C13 C12 -178.5(3) . . . . ?
C19 K2 C13 C12 -26.2(3) . . . . ?
C21 K2 C13 C12 154.6(3) . . . . ?
N1 K2 C13 C14 63.6(4) . . . . ?
N3 K2 C13 C14 -116.5(4) . . . . ?
C10 K2 C13 C14 -154.8(4) . . . . ?
C1 K2 C13 C14 26.5(4) . . . . ?
C4 K2 C13 C14 61(5) . . . . ?
C2 K2 C13 C14 -12.2(4) . . . . ?
C11 K2 C13 C14 167.4(4) . . . . ?
C3 K2 C13 C14 -47.5(5) . . . . ?
C12 K2 C13 C14 131.0(5) . . . . ?
C19 K2 C13 C14 104.8(3) . . . . ?
C21 K2 C13 C14 -74.4(3) . . . . ?
N1 K2 C13 K3 -127.9(3) . . . . ?
N3 K2 C13 K3 52.0(3) . . . . ?
C10 K2 C13 K3 13.8(2) . . . . ?
C1 K2 C13 K3 -165.0(2) . . . . ?
C4 K2 C13 K3 -130(5) . . . . ?
C2 K2 C13 K3 156.4(2) . . . . ?
C11 K2 C13 K3 -24.1(2) . . . . ?
C3 K2 C13 K3 121.0(3) . . . . ?
C12 K2 C13 K3 -60.5(3) . . . . ?
C19 K2 C13 K3 -86.6(3) . . . . ?
C21 K2 C13 K3 94.2(3) . . . . ?
C15 N4 C14 C13 -127.1(4) . . . . ?
Zn2 N4 C14 C13 101.2(4) 2_665 . . . ?
Zn2 N4 C14 C13 8.4(4) . . . . ?
N3 C13 C14 N4 -22.5(6) . . . . ?
C12 C13 C14 N4 162.7(5) . . . . ?
K3 C13 C14 N4 -108.5(3) . . . . ?
K2 C13 C14 N4 63.6(4) . . . . ?
C14 N4 C15 C16 179.2(4) . . . . ?
Zn2 N4 C15 C16 -52.3(4) 2_665 . . . ?
Zn2 N4 C15 C16 48.1(4) . . . . ?
C14 N4 C15 C17 -60.3(5) . . . . ?
Zn2 N4 C15 C17 68.3(4) 2_665 . . . ?
Zn2 N4 C15 C17 168.7(3) . . . . ?
C14 N4 C15 C18 60.2(5) . . . . ?
Zn2 N4 C15 C18 -171.3(3) 2_665 . . . ?
Zn2 N4 C15 C18 -70.9(4) . . . . ?
N4 C15 C18 K2 14.2(4) . . . . ?
C16 C15 C18 K2 -106.1(3) . . . . ?
C17 C15 C18 K2 136.2(3) . . . . ?
N1 K2 C18 C15 169.8(3) . . . . ?
N3 K2 C18 C15 -11.6(3) . . . . ?
C10 K2 C18 C15 -17.2(3) . . . . ?
C1 K2 C18 C15 164.2(3) . . . . ?
C13 K2 C18 C15 -35.7(3) . . . . ?
C4 K2 C18 C15 145.7(3) . . . . ?
C2 K2 C18 C15 136.4(3) . . . . ?
C11 K2 C18 C15 -44.0(3) . . . . ?
C3 K2 C18 C15 126.5(3) . . . . ?
C12 K2 C18 C15 -54.8(3) . . . . ?
C19 K2 C18 C15 -124.3(3) . . . . ?
C21 K2 C18 C15 54.4(3) . . . . ?
N2 Zn1 C19 C20 84.8(4) 2_575 . . . ?
N1 Zn1 C19 C20 -44.9(4) . . . . ?
N2 Zn1 C19 C20 -142.5(3) . . . . ?
Zn1 Zn1 C19 C20 150.8(3) 2_575 . . . ?
K2 Zn1 C19 C20 -76.8(3) . . . . ?
N2 Zn1 C19 K2 161.55(13) 2_575 . . . ?
N1 Zn1 C19 K2 31.91(15) . . . . ?
N2 Zn1 C19 K2 -65.69(17) . . . . ?
Zn1 Zn1 C19 K2 -132.4(2) 2_575 . . . ?
N1 K2 C19 C20 92.6(3) . . . . ?
N3 K2 C19 C20 -86.2(3) . . . . ?
C10 K2 C19 C20 -110.3(3) . . . . ?
C1 K2 C19 C20 68.7(3) . . . . ?
C13 K2 C19 C20 -67.4(3) . . . . ?
C4 K2 C19 C20 111.6(3) . . . . ?
C2 K2 C19 C20 73.8(3) . . . . ?
C11 K2 C19 C20 -106.2(3) . . . . ?
C3 K2 C19 C20 100.8(3) . . . . ?
C12 K2 C19 C20 -79.2(3) . . . . ?
C21 K2 C19 C20 -42(4) . . . . ?
N1 K2 C19 Zn1 -22.75(11) . . . . ?
N3 K2 C19 Zn1 158.48(12) . . . . ?
C10 K2 C19 Zn1 134.44(14) . . . . ?
C1 K2 C19 Zn1 -46.63(14) . . . . ?
C13 K2 C19 Zn1 177.29(14) . . . . ?
C4 K2 C19 Zn1 -3.69(14) . . . . ?
C2 K2 C19 Zn1 -41.51(16) . . . . ?
C11 K2 C19 Zn1 138.52(16) . . . . ?
C3 K2 C19 Zn1 -14.53(17) . . . . ?
C12 K2 C19 Zn1 165.46(17) . . . . ?
C21 K2 C19 Zn1 -157(4) . . . . ?
Zn1 C19 C20 K2 75.7(2) . . . . ?
N1 K2 C20 C19 -76.0(3) . . . . ?
N3 K2 C20 C19 104.4(3) . . . . ?
C10 K2 C20 C19 76.4(3) . . . . ?
C1 K2 C20 C19 -104.2(3) . . . . ?
C13 K2 C20 C19 112.5(3) . . . . ?
C4 K2 C20 C19 -68.0(3) . . . . ?
C2 K2 C20 C19 -110.7(3) . . . . ?
C11 K2 C20 C19 69.2(3) . . . . ?
C3 K2 C20 C19 -88.2(3) . . . . ?
C12 K2 C20 C19 91.1(3) . . . . ?
C21 K2 C20 C19 177.4(2) . . . . ?
N4 Zn2 C21 C22 -83.3(4) 2_665 . . . ?
N3 Zn2 C21 C22 45.1(4) . . . . ?
N4 Zn2 C21 C22 145.1(3) . . . . ?
Zn2 Zn2 C21 C22 -147.8(2) 2_665 . . . ?
K2 Zn2 C21 C22 78.8(3) . . . . ?
N4 Zn2 C21 K2 -162.07(12) 2_665 . . . ?
N3 Zn2 C21 K2 -33.63(17) . . . . ?
N4 Zn2 C21 K2 66.36(17) . . . . ?
Zn2 Zn2 C21 K2 133.5(2) 2_665 . . . ?
N1 K2 C21 C22 87.3(3) . . . . ?
N3 K2 C21 C22 -94.0(3) . . . . ?
C10 K2 C21 C22 -70.2(3) . . . . ?
C1 K2 C21 C22 110.9(3) . . . . ?
C13 K2 C21 C22 -113.3(3) . . . . ?
C4 K2 C21 C22 67.7(3) . . . . ?
C2 K2 C21 C22 105.0(3) . . . . ?
C11 K2 C21 C22 -75.0(3) . . . . ?
C3 K2 C21 C22 78.1(3) . . . . ?
C12 K2 C21 C22 -101.9(3) . . . . ?
C19 K2 C21 C22 -139(4) . . . . ?
N1 K2 C21 Zn2 -155.27(12) . . . . ?
N3 K2 C21 Zn2 23.45(12) . . . . ?
C10 K2 C21 Zn2 47.23(14) . . . . ?
C1 K2 C21 Zn2 -131.66(15) . . . . ?
C13 K2 C21 Zn2 4.13(14) . . . . ?
C4 K2 C21 Zn2 -174.87(15) . . . . ?
C2 K2 C21 Zn2 -137.54(17) . . . . ?
C11 K2 C21 Zn2 42.41(17) . . . . ?
C3 K2 C21 Zn2 -164.45(17) . . . . ?
C12 K2 C21 Zn2 15.53(18) . . . . ?
C19 K2 C21 Zn2 -22(4) . . . . ?
C26 O1 C23 C24 26.6(8) . . . . ?
K1 O1 C23 C24 171.8(5) . . . . ?
O1 C23 C24 C25 -23.9(9) . . . . ?
C23 C24 C25 C26 10.2(10) . . . . ?
C24 C25 C26 O1 7.1(10) . . . . ?
C23 O1 C26 C25 -23.0(10) . . . . ?
K1 O1 C26 C25 -167.4(6) . . . . ?
C30 O2 C27 C28 8.0(9) . . . . ?
K3 O2 C27 C28 168.4(5) . . . . ?
O2 C27 C28 C29 -23.4(9) . . . . ?
C27 C28 C29 C30 31.1(9) . . . . ?
C27 O2 C30 C29 10.7(9) . . . . ?
K3 O2 C30 C29 -149.9(5) . . . . ?
C28 C29 C30 O2 -26.9(9) . . . . ?
C31 O3 C31 C32 9.9(3) 2_675 . . . ?
O3 C31 C32 C32 -23.9(5) . . . 2_675 ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.05
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.346
_refine_diff_density_min         -1.556
_refine_diff_density_rms         0.138


# end
