#------------------------------------------------------------------------------
#$Date: 2016-03-25 17:01:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180000 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/94/7029414.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7029414
loop_
_publ_author_name
'Kim, Hyun-Chul'
'Lee, Young Sun'
'Huh, Seong'
'Lee, Suk Joong'
'Kim, Youngmee'
_publ_section_title
;
 CO2 selective 1D double chain dipyridyl-porphyrin based porous
 coordination polymers.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5680
_journal_page_last               5686
_journal_paper_doi               10.1039/c3dt53287a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C132 H92 N20 O2 Zn3'
_chemical_formula_weight         2186.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.42(3)
_cell_angle_beta                 104.33(3)
_cell_angle_gamma                99.00(3)
_cell_formula_units_Z            1
_cell_length_a                   11.840(2)
_cell_length_b                   14.960(3)
_cell_length_c                   16.671(3)
_cell_measurement_reflns_used    11900
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      28.6
_cell_measurement_theta_min      2.8
_cell_volume                     2822.5(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_av_unetI/netI     0.0933
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15881
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_T_max  0.9338
_exptl_absorpt_correction_T_min  0.9213
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1130
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.849
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     758
_refine_ls_number_reflns         10726
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0815
_refine_ls_R_factor_gt           0.0684
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0986P)²+3.7132P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1845
_refine_ls_wR_factor_ref         0.1965
_reflns_number_gt                8709
_reflns_number_total             10726
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt53287a.txt
_cod_data_source_block           ye43sadp-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        2822.6(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7029414
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Zn1 Zn 0.11599(3) 0.43133(3) 0.14425(2) 0.01976(14) Uani 1 1 d .
Zn2 Zn 0.5000 1.0000 0.5000 0.02037(16) Uani 1 2 d S
N11 N 0.0992(3) 0.48375(19) 0.25485(18) 0.0221(6) Uani 1 1 d .
N12 N 0.2090(3) 0.55374(19) 0.12614(18) 0.0220(6) Uani 1 1 d .
N13 N 0.0942(3) 0.39250(19) 0.02215(18) 0.0217(6) Uani 1 1 d .
N14 N -0.0119(3) 0.3220(2) 0.15298(18) 0.0230(6) Uani 1 1 d .
N15 N 0.3855(3) 0.8723(2) 0.41544(19) 0.0272(7) Uani 1 1 d .
N16 N -0.2213(5) 0.0067(3) -0.1329(3) 0.0612(13) Uani 1 1 d .
N21 N 0.3633(3) 1.0719(2) 0.47808(18) 0.0221(6) Uani 1 1 d .
N22 N 0.5436(3) 1.04834(19) 0.39341(18) 0.0204(6) Uani 1 1 d .
N23 N 0.2550(3) 0.3554(2) 0.20117(18) 0.0220(6) Uani 1 1 d .
C11 C 0.0411(3) 0.4399(2) 0.3086(2) 0.0242(7) Uani 1 1 d .
C12 C 0.0497(4) 0.5007(3) 0.3777(2) 0.0304(8) Uani 1 1 d .
H12 H 0.0154 0.4877 0.4231 0.036 Uiso 1 1 calc R
C13 C 0.1149(4) 0.5790(3) 0.3666(2) 0.0323(9) Uani 1 1 d .
H13 H 0.1351 0.6319 0.4025 0.039 Uiso 1 1 calc R
C14 C 0.1485(3) 0.5683(2) 0.2902(2) 0.0253(8) Uani 1 1 d .
C15 C 0.2253(3) 0.6326(2) 0.2597(2) 0.0262(8) Uani 1 1 d .
C16 C 0.2564(3) 0.6223(2) 0.1841(2) 0.0234(7) Uani 1 1 d .
C17 C 0.3469(4) 0.6831(3) 0.1578(2) 0.0297(8) Uani 1 1 d .
H17 H 0.3939 0.7362 0.1872 0.036 Uiso 1 1 calc R
C18 C 0.3517(4) 0.6500(3) 0.0835(2) 0.0291(8) Uani 1 1 d .
H18 H 0.4038 0.6747 0.0512 0.035 Uiso 1 1 calc R
C19 C 0.2631(3) 0.5702(2) 0.0623(2) 0.0241(7) Uani 1 1 d .
C110 C 0.2355(3) 0.5168(2) -0.0117(2) 0.0238(7) Uani 1 1 d .
C111 C 0.1513(3) 0.4376(2) -0.0318(2) 0.0230(7) Uani 1 1 d .
C112 C 0.1107(3) 0.3901(3) -0.1124(2) 0.0284(8) Uani 1 1 d .
H112 H 0.1349 0.4073 -0.1611 0.034 Uiso 1 1 calc R
C113 C 0.0328(4) 0.3174(3) -0.1052(2) 0.0273(8) Uani 1 1 d .
H113 H -0.0087 0.2736 -0.1482 0.033 Uiso 1 1 calc R
C114 C 0.0232(3) 0.3175(2) -0.0205(2) 0.0231(7) Uani 1 1 d .
C115 C -0.0425(3) 0.2490(2) 0.0142(2) 0.0233(7) Uani 1 1 d .
C116 C -0.0524(3) 0.2501(2) 0.0969(2) 0.0246(8) Uani 1 1 d .
C117 C -0.1029(4) 0.1739(3) 0.1361(3) 0.0348(9) Uani 1 1 d .
H117 H -0.1368 0.1156 0.1108 0.042 Uiso 1 1 calc R
C118 C -0.0931(4) 0.2006(3) 0.2146(3) 0.0380(10) Uani 1 1 d .
H118 H -0.1186 0.1645 0.2555 0.046 Uiso 1 1 calc R
C119 C -0.0369(3) 0.2942(3) 0.2258(2) 0.0270(8) Uani 1 1 d .
C120 C -0.0149(3) 0.3490(2) 0.2985(2) 0.0245(8) Uani 1 1 d .
C121 C 0.2809(3) 0.7162(2) 0.3129(2) 0.0260(8) Uani 1 1 d .
C122 C 0.2665(3) 0.8030(2) 0.2864(2) 0.0271(8) Uani 1 1 d .
H122 H 0.2206 0.8107 0.2323 0.032 Uiso 1 1 calc R
C123 C 0.3194(3) 0.8779(3) 0.3395(2) 0.0280(8) Uani 1 1 d .
H123 H 0.3077 0.9363 0.3204 0.034 Uiso 1 1 calc R
C124 C 0.4010(4) 0.7888(3) 0.4410(2) 0.0316(9) Uani 1 1 d .
H124 H 0.4485 0.7836 0.4952 0.038 Uiso 1 1 calc R
C125 C 0.3517(4) 0.7108(3) 0.3928(2) 0.0316(9) Uani 1 1 d .
H125 H 0.3658 0.6535 0.4136 0.038 Uiso 1 1 calc R
C126 C 0.3041(3) 0.5484(3) -0.0744(2) 0.0261(8) Uani 1 1 d .
C127 C 0.2929(4) 0.6314(3) -0.1102(3) 0.0361(9) Uani 1 1 d .
H127 H 0.2383 0.6664 -0.0980 0.043 Uiso 1 1 calc R
C128 C 0.3619(4) 0.6630(4) -0.1640(3) 0.0468(12) Uani 1 1 d .
H128 H 0.3544 0.7197 -0.1882 0.056 Uiso 1 1 calc R
C129 C 0.4411(4) 0.6125(4) -0.1822(3) 0.0509(13) Uani 1 1 d .
H129 H 0.4872 0.6342 -0.2193 0.061 Uiso 1 1 calc R
C130 C 0.4532(4) 0.5311(4) -0.1466(3) 0.0504(12) Uani 1 1 d .
H130 H 0.5088 0.4969 -0.1586 0.061 Uiso 1 1 calc R
C131 C 0.3840(4) 0.4979(3) -0.0926(3) 0.0398(10) Uani 1 1 d .
H131 H 0.3920 0.4411 -0.0686 0.048 Uiso 1 1 calc R
C132 C -0.1039(4) 0.1657(2) -0.0382(2) 0.0275(8) Uani 1 1 d .
C133 C -0.0430(5) 0.1087(3) -0.0705(3) 0.0452(11) Uani 1 1 d .
H133 H 0.0404 0.1228 -0.0610 0.054 Uiso 1 1 calc R
C134 C -0.1038(6) 0.0312(4) -0.1165(3) 0.0591(15) Uani 1 1 d .
H134 H -0.0599 -0.0070 -0.1379 0.071 Uiso 1 1 calc R
C135 C -0.2781(5) 0.0604(3) -0.1014(3) 0.0520(13) Uani 1 1 d .
H135 H -0.3614 0.0440 -0.1118 0.062 Uiso 1 1 calc R
C136 C -0.2258(4) 0.1396(3) -0.0539(3) 0.0388(10) Uani 1 1 d .
H136 H -0.2723 0.1753 -0.0325 0.047 Uiso 1 1 calc R
C137 C -0.0513(4) 0.3083(3) 0.3719(2) 0.0304(9) Uani 1 1 d .
C138 C -0.1678(5) 0.2677(4) 0.3664(3) 0.0508(13) Uani 1 1 d .
H138 H -0.2263 0.2680 0.3158 0.061 Uiso 1 1 calc R
C139 C -0.1984(6) 0.2271(4) 0.4340(3) 0.0661(19) Uani 1 1 d .
H139 H -0.2781 0.1999 0.4289 0.079 Uiso 1 1 calc R
C140 C -0.1181(6) 0.2250(3) 0.5069(3) 0.0549(15) Uani 1 1 d .
H140 H -0.1406 0.1954 0.5521 0.066 Uiso 1 1 calc R
C141 C -0.0015(5) 0.2668(3) 0.5152(3) 0.0443(12) Uani 1 1 d .
H141 H 0.0556 0.2676 0.5666 0.053 Uiso 1 1 calc R
C142 C 0.0299(4) 0.3074(3) 0.4473(3) 0.0353(9) Uani 1 1 d .
H142 H 0.1095 0.3353 0.4529 0.042 Uiso 1 1 calc R
C21 C 0.2861(3) 1.0753(3) 0.5269(2) 0.0251(8) Uani 1 1 d .
C22 C 0.2012(4) 1.1317(3) 0.4900(3) 0.0362(10) Uani 1 1 d .
H22 H 0.1367 1.1437 0.5105 0.043 Uiso 1 1 calc R
C23 C 0.2292(4) 1.1646(3) 0.4213(3) 0.0331(9) Uani 1 1 d .
H23 H 0.1891 1.2042 0.3845 0.040 Uiso 1 1 calc R
C24 C 0.3330(3) 1.1275(2) 0.4145(2) 0.0233(7) Uani 1 1 d .
C25 C 0.3924(3) 1.1459(2) 0.3513(2) 0.0210(7) Uani 1 1 d .
C26 C 0.4862(3) 1.1052(2) 0.3388(2) 0.0206(7) Uani 1 1 d .
C27 C 0.5376(3) 1.1153(2) 0.2686(2) 0.0242(7) Uani 1 1 d .
H27 H 0.5149 1.1512 0.2224 0.029 Uiso 1 1 calc R
C28 C 0.6245(3) 1.0635(3) 0.2812(2) 0.0262(8) Uani 1 1 d .
H28 H 0.6734 1.0558 0.2451 0.031 Uiso 1 1 calc R
C29 C 0.6286(3) 1.0225(2) 0.3596(2) 0.0229(7) Uani 1 1 d .
C210 C 0.3516(3) 0.2190(2) 0.2958(2) 0.0216(7) Uani 1 1 d .
C211 C 0.2971(3) 0.2030(2) 0.2125(2) 0.0242(7) Uani 1 1 d .
H211 H 0.2916 0.1454 0.1861 0.029 Uiso 1 1 calc R
C212 C 0.2504(3) 0.2725(2) 0.1678(2) 0.0253(8) Uani 1 1 d .
H212 H 0.2132 0.2608 0.1105 0.030 Uiso 1 1 calc R
C213 C 0.3133(3) 0.3720(2) 0.2806(2) 0.0230(7) Uani 1 1 d .
H213 H 0.3209 0.4311 0.3047 0.028 Uiso 1 1 calc R
C214 C 0.3634(3) 0.3068(2) 0.3297(2) 0.0240(7) Uani 1 1 d .
H214 H 0.4054 0.3216 0.3857 0.029 Uiso 1 1 calc R
C215 C 0.7099(3) 0.9666(3) 0.3973(2) 0.0264(8) Uani 1 1 d .
C216 C 0.7988(4) 0.9444(3) 0.3527(2) 0.0346(9) Uani 1 1 d .
C217 C 0.7831(6) 0.8622(4) 0.3117(4) 0.0568(14) Uani 1 1 d .
H217 H 0.7124 0.8206 0.3078 0.068 Uiso 1 1 calc R
C218 C 0.8702(7) 0.8380(5) 0.2748(4) 0.0720(19) Uani 1 1 d .
H218 H 0.8579 0.7810 0.2458 0.086 Uiso 1 1 calc R
C219 C 0.9724(6) 0.8977(6) 0.2813(4) 0.076(2) Uani 1 1 d .
H219 H 1.0319 0.8829 0.2567 0.091 Uiso 1 1 calc R
C220 C 0.9871(6) 0.9766(7) 0.3224(5) 0.097(3) Uani 1 1 d .
H220 H 1.0588 1.0173 0.3273 0.116 Uiso 1 1 calc R
C221 C 0.9023(5) 1.0026(5) 0.3588(4) 0.0636(16) Uani 1 1 d .
H221 H 0.9163 1.0600 0.3874 0.076 Uiso 1 1 calc R
O11S O 0.2526(9) 0.3569(6) 0.7250(6) 0.086(3) Uani 0.50 1 d PDU
C11S C 0.2487(10) 0.4277(7) 0.6858(6) 0.060(3) Uani 0.50 1 d PDU
H11S H 0.2003 0.4685 0.6974 0.072 Uiso 0.50 1 calc PR
N11S N 0.3149(7) 0.4520(5) 0.6223(5) 0.054(2) Uani 0.50 1 d PDU
C12S C 0.3082(14) 0.5430(6) 0.5892(9) 0.080(4) Uani 0.50 1 d PDU
H12A H 0.3178 0.5873 0.6350 0.120 Uiso 0.50 1 calc PR
H12B H 0.2312 0.5423 0.5500 0.120 Uiso 0.50 1 calc PR
H12C H 0.3711 0.5596 0.5608 0.120 Uiso 0.50 1 calc PR
C13S C 0.3860(12) 0.3816(8) 0.6126(9) 0.077(4) Uani 0.50 1 d PDU
H13A H 0.3388 0.3215 0.6120 0.116 Uiso 0.50 1 calc PR
H13B H 0.4566 0.3879 0.6590 0.116 Uiso 0.50 1 calc PR
H13C H 0.4096 0.3887 0.5604 0.116 Uiso 0.50 1 calc PR
O21S O 0.4734(8) 0.8900(6) -0.0514(6) 0.078(2) Uani 0.50 1 d PDU
C21S C 0.5339(9) 0.8281(7) -0.0362(5) 0.067(3) Uani 0.50 1 d PDU
H21S H 0.5238 0.7748 -0.0704 0.081 Uiso 0.50 1 calc PR
N21S N 0.6237(6) 0.8507(5) 0.0431(4) 0.0345(15) Uani 0.50 1 d PDU
C22S C 0.6763(11) 0.7653(8) 0.0582(8) 0.064(3) Uani 0.50 1 d PU
H22A H 0.7618 0.7793 0.0645 0.096 Uiso 0.50 1 calc PR
H22B H 0.6406 0.7218 0.0111 0.096 Uiso 0.50 1 calc PR
H22C H 0.6607 0.7391 0.1089 0.096 Uiso 0.50 1 calc PR
C23S C 0.6561(18) 0.9184(13) 0.0948(12) 0.108(6) Uani 0.50 1 d PU
H23A H 0.7324 0.9513 0.0901 0.162 Uiso 0.50 1 calc PR
H23B H 0.6638 0.8973 0.1512 0.162 Uiso 0.50 1 calc PR
H23C H 0.5970 0.9589 0.0831 0.162 Uiso 0.50 1 calc PR
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'
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'
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
N12 Zn1 N13 89.98(12) . .
N12 Zn1 N11 89.42(12) . .
N13 Zn1 N11 165.42(12) . .
N12 Zn1 N14 166.76(12) . .
N13 Zn1 N14 89.14(12) . .
N11 Zn1 N14 88.12(12) . .
N12 Zn1 N23 102.71(12) . .
N13 Zn1 N23 99.23(11) . .
N11 Zn1 N23 95.11(12) . .
N14 Zn1 N23 90.47(12) . .
N21 Zn2 N21 179.997(1) 2_676 .
N21 Zn2 N22 89.48(12) 2_676 2_676
N21 Zn2 N22 90.52(12) . 2_676
N21 Zn2 N22 90.52(12) 2_676 .
N21 Zn2 N22 89.48(12) . .
N22 Zn2 N22 179.998(2) 2_676 .
N21 Zn2 N15 93.34(12) 2_676 2_676
N21 Zn2 N15 86.66(12) . 2_676
N22 Zn2 N15 86.56(11) 2_676 2_676
N22 Zn2 N15 93.44(11) . 2_676
N21 Zn2 N15 86.66(12) 2_676 .
N21 Zn2 N15 93.34(12) . .
N22 Zn2 N15 93.44(11) 2_676 .
N22 Zn2 N15 86.56(11) . .
N15 Zn2 N15 180.00(16) 2_676 .
C14 N11 C11 106.8(3) . .
C14 N11 Zn1 126.3(2) . .
C11 N11 Zn1 126.9(2) . .
C16 N12 C19 106.8(3) . .
C16 N12 Zn1 126.1(2) . .
C19 N12 Zn1 124.7(2) . .
C114 N13 C111 107.1(3) . .
C114 N13 Zn1 127.4(2) . .
C111 N13 Zn1 125.5(2) . .
C116 N14 C119 106.9(3) . .
C116 N14 Zn1 125.0(2) . .
C119 N14 Zn1 124.4(2) . .
C123 N15 C124 117.2(3) . .
C123 N15 Zn2 123.7(3) . .
C124 N15 Zn2 118.4(2) . .
C135 N16 C134 116.2(4) . .
C24 N21 C21 106.9(3) . .
C24 N21 Zn2 127.2(2) . .
C21 N21 Zn2 125.8(2) . .
C29 N22 C26 106.7(3) . .
C29 N22 Zn2 126.0(2) . .
C26 N22 Zn2 127.0(2) . .
C213 N23 C212 117.2(3) . .
C213 N23 Zn1 120.6(2) . .
C212 N23 Zn1 117.4(2) . .
N11 C11 C120 125.2(3) . .
N11 C11 C12 109.2(3) . .
C120 C11 C12 125.6(3) . .
C13 C12 C11 107.5(3) . .
C13 C12 H12 126.3 . .
C11 C12 H12 126.3 . .
C12 C13 C14 107.3(3) . .
C12 C13 H13 126.3 . .
C14 C13 H13 126.3 . .
N11 C14 C15 125.7(3) . .
N11 C14 C13 109.1(3) . .
C15 C14 C13 125.0(3) . .
C14 C15 C16 124.8(3) . .
C14 C15 C121 117.2(3) . .
C16 C15 C121 117.9(3) . .
N12 C16 C15 125.7(3) . .
N12 C16 C17 109.6(3) . .
C15 C16 C17 124.7(3) . .
C18 C17 C16 107.0(3) . .
C18 C17 H17 126.5 . .
C16 C17 H17 126.5 . .
C17 C18 C19 107.0(3) . .
C17 C18 H18 126.5 . .
C19 C18 H18 126.5 . .
N12 C19 C110 124.9(3) . .
N12 C19 C18 109.5(3) . .
C110 C19 C18 125.7(3) . .
C111 C110 C19 125.9(3) . .
C111 C110 C126 118.0(3) . .
C19 C110 C126 116.1(3) . .
N13 C111 C110 125.3(3) . .
N13 C111 C112 109.1(3) . .
C110 C111 C112 125.6(3) . .
C113 C112 C111 107.0(3) . .
C113 C112 H112 126.5 . .
C111 C112 H112 126.5 . .
C112 C113 C114 107.8(3) . .
C112 C113 H113 126.1 . .
C114 C113 H113 126.1 . .
N13 C114 C115 125.2(3) . .
N13 C114 C113 109.1(3) . .
C115 C114 C113 125.7(3) . .
C114 C115 C116 125.3(3) . .
C114 C115 C132 118.7(3) . .
C116 C115 C132 116.0(3) . .
N14 C116 C115 125.6(3) . .
N14 C116 C117 109.4(3) . .
C115 C116 C117 125.0(3) . .
C118 C117 C116 107.4(4) . .
C118 C117 H117 126.3 . .
C116 C117 H117 126.3 . .
C117 C118 C119 107.4(4) . .
C117 C118 H118 126.3 . .
C119 C118 H118 126.3 . .
N14 C119 C120 125.4(3) . .
N14 C119 C118 109.0(3) . .
C120 C119 C118 125.6(4) . .
C119 C120 C11 124.8(3) . .
C119 C120 C137 118.4(3) . .
C11 C120 C137 116.8(3) . .
C122 C121 C125 116.5(3) . .
C122 C121 C15 122.7(3) . .
C125 C121 C15 120.7(3) . .
C123 C122 C121 119.8(3) . .
C123 C122 H122 120.1 . .
C121 C122 H122 120.1 . .
N15 C123 C122 123.3(4) . .
N15 C123 H123 118.3 . .
C122 C123 H123 118.3 . .
N15 C124 C125 123.4(4) . .
N15 C124 H124 118.3 . .
C125 C124 H124 118.3 . .
C124 C125 C121 119.7(4) . .
C124 C125 H125 120.2 . .
C121 C125 H125 120.2 . .
C131 C126 C127 119.6(4) . .
C131 C126 C110 120.3(4) . .
C127 C126 C110 120.0(3) . .
C126 C127 C128 119.8(4) . .
C126 C127 H127 120.1 . .
C128 C127 H127 120.1 . .
C129 C128 C127 120.4(5) . .
C129 C128 H128 119.8 . .
C127 C128 H128 119.8 . .
C130 C129 C128 120.0(4) . .
C130 C129 H129 120.0 . .
C128 C129 H129 120.0 . .
C129 C130 C131 120.4(4) . .
C129 C130 H130 119.8 . .
C131 C130 H130 119.8 . .
C126 C131 C130 119.7(4) . .
C126 C131 H131 120.1 . .
C130 C131 H131 120.1 . .
C133 C132 C136 116.7(4) . .
C133 C132 C115 122.2(4) . .
C136 C132 C115 121.1(4) . .
C134 C133 C132 119.8(5) . .
C134 C133 H133 120.1 . .
C132 C133 H133 120.1 . .
N16 C134 C133 123.6(5) . .
N16 C134 H134 118.2 . .
C133 C134 H134 118.2 . .
N16 C135 C136 124.9(5) . .
N16 C135 H135 117.6 . .
C136 C135 H135 117.6 . .
C135 C136 C132 118.8(4) . .
C135 C136 H136 120.6 . .
C132 C136 H136 120.6 . .
C142 C137 C138 117.4(4) . .
C142 C137 C120 121.1(4) . .
C138 C137 C120 121.4(4) . .
C139 C138 C137 120.5(5) . .
C139 C138 H138 119.8 . .
C137 C138 H138 119.8 . .
C140 C139 C138 121.7(5) . .
C140 C139 H139 119.1 . .
C138 C139 H139 119.1 . .
C139 C140 C141 119.3(4) . .
C139 C140 H140 120.3 . .
C141 C140 H140 120.3 . .
C142 C141 C140 119.2(5) . .
C142 C141 H141 120.4 . .
C140 C141 H141 120.4 . .
C137 C142 C141 121.8(4) . .
C137 C142 H142 119.1 . .
C141 C142 H142 119.1 . .
N21 C21 C215 126.3(3) . 2_676
N21 C21 C22 109.2(3) . .
C215 C21 C22 124.5(3) 2_676 .
C23 C22 C21 107.9(3) . .
C23 C22 H22 126.1 . .
C21 C22 H22 126.1 . .
C22 C23 C24 106.5(3) . .
C22 C23 H23 126.8 . .
C24 C23 H23 126.8 . .
N21 C24 C25 125.5(3) . .
N21 C24 C23 109.5(3) . .
C25 C24 C23 125.0(3) . .
C26 C25 C24 126.3(3) . .
C26 C25 C210 119.0(3) . 1_565
C24 C25 C210 114.6(3) . 1_565
N22 C26 C25 124.1(3) . .
N22 C26 C27 109.5(3) . .
C25 C26 C27 126.4(3) . .
C28 C27 C26 106.9(3) . .
C28 C27 H27 126.5 . .
C26 C27 H27 126.5 . .
C27 C28 C29 107.1(3) . .
C27 C28 H28 126.4 . .
C29 C28 H28 126.4 . .
N22 C29 C215 124.9(3) . .
N22 C29 C28 109.8(3) . .
C215 C29 C28 125.3(3) . .
C211 C210 C214 117.7(3) . .
C211 C210 C25 122.9(3) . 1_545
C214 C210 C25 119.3(3) . 1_545
C210 C211 C212 118.9(3) . .
C210 C211 H211 120.6 . .
C212 C211 H211 120.6 . .
N23 C212 C211 123.6(3) . .
N23 C212 H212 118.2 . .
C211 C212 H212 118.2 . .
N23 C213 C214 122.9(3) . .
N23 C213 H213 118.5 . .
C214 C213 H213 118.5 . .
C213 C214 C210 119.4(3) . .
C213 C214 H214 120.3 . .
C210 C214 H214 120.3 . .
C29 C215 C21 126.0(3) . 2_676
C29 C215 C216 118.9(3) . .
C21 C215 C216 115.0(3) 2_676 .
C217 C216 C221 118.4(4) . .
C217 C216 C215 120.7(4) . .
C221 C216 C215 120.7(4) . .
C216 C217 C218 121.2(6) . .
C216 C217 H217 119.4 . .
C218 C217 H217 119.4 . .
C219 C218 C217 119.2(6) . .
C219 C218 H218 120.4 . .
C217 C218 H218 120.4 . .
C220 C219 C218 118.9(5) . .
C220 C219 H219 120.5 . .
C218 C219 H219 120.5 . .
C219 C220 C221 123.2(7) . .
C219 C220 H220 118.4 . .
C221 C220 H220 118.4 . .
C216 C221 C220 119.1(6) . .
C216 C221 H221 120.4 . .
C220 C221 H221 120.4 . .
O11S C11S N11S 124.1(9) . .
O11S C11S H11S 117.9 . .
N11S C11S H11S 117.9 . .
C13S N11S C12S 133.1(10) . .
C13S N11S C11S 110.7(9) . .
C12S N11S C11S 115.8(8) . .
N11S C12S H12A 109.5 . .
N11S C12S H12B 109.5 . .
H12A C12S H12B 109.5 . .
N11S C12S H12C 109.5 . .
H12A C12S H12C 109.5 . .
H12B C12S H12C 109.5 . .
N11S C13S H13A 109.5 . .
N11S C13S H13B 109.5 . .
H13A C13S H13B 109.5 . .
N11S C13S H13C 109.5 . .
H13A C13S H13C 109.5 . .
H13B C13S H13C 109.5 . .
O21S C21S N21S 109.2(8) . .
O21S C21S H21S 125.4 . .
N21S C21S H21S 125.4 . .
C23S N21S C21S 135.4(11) . .
C23S N21S C22S 121.9(11) . .
C21S N21S C22S 102.6(7) . .
N21S C22S H22A 109.5 . .
N21S C22S H22B 109.5 . .
H22A C22S H22B 109.5 . .
N21S C22S H22C 109.5 . .
H22A C22S H22C 109.5 . .
H22B C22S H22C 109.5 . .
N21S C23S H23A 109.5 . .
N21S C23S H23B 109.5 . .
H23A C23S H23B 109.5 . .
N21S C23S H23C 109.5 . .
H23A C23S H23C 109.5 . .
H23B C23S H23C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N12 2.049(3) .
Zn1 N13 2.055(3) .
Zn1 N11 2.065(3) .
Zn1 N14 2.080(3) .
Zn1 N23 2.174(3) .
Zn2 N21 2.042(3) 2_676
Zn2 N21 2.042(3) .
Zn2 N22 2.075(3) 2_676
Zn2 N22 2.075(3) .
Zn2 N15 2.384(3) 2_676
Zn2 N15 2.384(3) .
N11 C14 1.369(5) .
N11 C11 1.371(5) .
N12 C16 1.356(5) .
N12 C19 1.376(5) .
N13 C114 1.366(5) .
N13 C111 1.374(5) .
N14 C116 1.366(5) .
N14 C119 1.372(5) .
N15 C123 1.324(5) .
N15 C124 1.347(5) .
N16 C135 1.307(7) .
N16 C134 1.341(8) .
N21 C24 1.365(5) .
N21 C21 1.371(5) .
N22 C29 1.370(5) .
N22 C26 1.378(4) .
N23 C213 1.335(5) .
N23 C212 1.342(5) .
C11 C120 1.405(5) .
C11 C12 1.437(5) .
C12 C13 1.339(6) .
C12 H12 0.9500 .
C13 C14 1.441(5) .
C13 H13 0.9500 .
C14 C15 1.404(5) .
C15 C16 1.412(5) .
C15 C121 1.490(5) .
C16 C17 1.450(5) .
C17 C18 1.348(6) .
C17 H17 0.9500 .
C18 C19 1.439(5) .
C18 H18 0.9500 .
C19 C110 1.404(5) .
C110 C111 1.404(5) .
C110 C126 1.511(5) .
C111 C112 1.450(5) .
C112 C113 1.338(6) .
C112 H112 0.9500 .
C113 C114 1.446(5) .
C113 H113 0.9500 .
C114 C115 1.404(5) .
C115 C116 1.413(5) .
C115 C132 1.494(5) .
C116 C117 1.440(5) .
C117 C118 1.339(6) .
C117 H117 0.9500 .
C118 C119 1.444(5) .
C118 H118 0.9500 .
C119 C120 1.404(5) .
C120 C137 1.498(5) .
C121 C122 1.397(5) .
C121 C125 1.397(5) .
C122 C123 1.387(5) .
C122 H122 0.9500 .
C123 H123 0.9500 .
C124 C125 1.375(6) .
C124 H124 0.9500 .
C125 H125 0.9500 .
C126 C131 1.386(6) .
C126 C127 1.392(6) .
C127 C128 1.394(6) .
C127 H127 0.9500 .
C128 C129 1.378(8) .
C128 H128 0.9500 .
C129 C130 1.371(8) .
C129 H129 0.9500 .
C130 C131 1.405(7) .
C130 H130 0.9500 .
C131 H131 0.9500 .
C132 C133 1.384(6) .
C132 C136 1.392(6) .
C133 C134 1.380(7) .
C133 H133 0.9500 .
C134 H134 0.9500 .
C135 C136 1.389(6) .
C135 H135 0.9500 .
C136 H136 0.9500 .
C137 C142 1.382(6) .
C137 C138 1.397(6) .
C138 C139 1.383(7) .
C138 H138 0.9500 .
C139 C140 1.350(9) .
C139 H139 0.9500 .
C140 C141 1.396(8) .
C140 H140 0.9500 .
C141 C142 1.393(6) .
C141 H141 0.9500 .
C142 H142 0.9500 .
C21 C215 1.408(5) 2_676
C21 C22 1.439(5) .
C22 C23 1.345(6) .
C22 H22 0.9500 .
C23 C24 1.453(5) .
C23 H23 0.9500 .
C24 C25 1.411(5) .
C25 C26 1.404(5) .
C25 C210 1.497(5) 1_565
C26 C27 1.446(5) .
C27 C28 1.360(5) .
C27 H27 0.9500 .
C28 C29 1.442(5) .
C28 H28 0.9500 .
C29 C215 1.407(5) .
C210 C211 1.381(5) .
C210 C214 1.399(5) .
C210 C25 1.497(5) 1_545
C211 C212 1.389(5) .
C211 H211 0.9500 .
C212 H212 0.9500 .
C213 C214 1.387(5) .
C213 H213 0.9500 .
C214 H214 0.9500 .
C215 C21 1.408(5) 2_676
C215 C216 1.505(5) .
C216 C217 1.367(7) .
C216 C221 1.369(7) .
C217 C218 1.415(7) .
C217 H217 0.9500 .
C218 C219 1.367(11) .
C218 H218 0.9500 .
C219 C220 1.326(11) .
C219 H219 0.9500 .
C220 C221 1.397(8) .
C220 H220 0.9500 .
C221 H221 0.9500 .
O11S C11S 1.250(2) .
C11S N11S 1.480(2) .
C11S H11S 0.9500 .
N11S C13S 1.478(2) .
N11S C12S 1.479(2) .
C12S H12A 0.9800 .
C12S H12B 0.9800 .
C12S H12C 0.9800 .
C13S H13A 0.9800 .
C13S H13B 0.9800 .
C13S H13C 0.9800 .
O21S C21S 1.247(2) .
C21S N21S 1.476(2) .
C21S H21S 0.9500 .
N21S C23S 1.273(19) .
N21S C22S 1.503(14) .
C22S H22A 0.9800 .
C22S H22B 0.9800 .
C22S H22C 0.9800 .
C23S H23A 0.9800 .
C23S H23B 0.9800 .
C23S H23C 0.9800 .
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_4
N12 Zn1 N11 C14 -4.0(3) . .
N13 Zn1 N11 C14 -91.7(5) . .
N14 Zn1 N11 C14 -171.0(3) . .
N23 Zn1 N11 C14 98.7(3) . .
N12 Zn1 N11 C11 178.9(3) . .
N13 Zn1 N11 C11 91.2(5) . .
N14 Zn1 N11 C11 11.9(3) . .
N23 Zn1 N11 C11 -78.4(3) . .
N13 Zn1 N12 C16 179.7(3) . .
N11 Zn1 N12 C16 14.2(3) . .
N14 Zn1 N12 C16 93.5(6) . .
N23 Zn1 N12 C16 -80.9(3) . .
N13 Zn1 N12 C19 -20.5(3) . .
N11 Zn1 N12 C19 174.0(3) . .
N14 Zn1 N12 C19 -106.7(5) . .
N23 Zn1 N12 C19 78.9(3) . .
N12 Zn1 N13 C114 -170.5(3) . .
N11 Zn1 N13 C114 -82.8(5) . .
N14 Zn1 N13 C114 -3.7(3) . .
N23 Zn1 N13 C114 86.7(3) . .
N12 Zn1 N13 C111 10.8(3) . .
N11 Zn1 N13 C111 98.5(5) . .
N14 Zn1 N13 C111 177.6(3) . .
N23 Zn1 N13 C111 -92.0(3) . .
N12 Zn1 N14 C116 101.3(5) . .
N13 Zn1 N14 C116 15.0(3) . .
N11 Zn1 N14 C116 -179.3(3) . .
N23 Zn1 N14 C116 -84.2(3) . .
N12 Zn1 N14 C119 -103.3(5) . .
N13 Zn1 N14 C119 170.4(3) . .
N11 Zn1 N14 C119 -23.9(3) . .
N23 Zn1 N14 C119 71.2(3) . .
N21 Zn2 N15 C123 -131.7(3) 2_676 .
N21 Zn2 N15 C123 48.3(3) . .
N22 Zn2 N15 C123 139.0(3) 2_676 .
N22 Zn2 N15 C123 -41.0(3) . .
N15 Zn2 N15 C123 118(21) 2_676 .
N21 Zn2 N15 C124 38.7(3) 2_676 .
N21 Zn2 N15 C124 -141.3(3) . .
N22 Zn2 N15 C124 -50.6(3) 2_676 .
N22 Zn2 N15 C124 129.4(3) . .
N15 Zn2 N15 C124 -72(21) 2_676 .
N21 Zn2 N21 C24 135(10) 2_676 .
N22 Zn2 N21 C24 178.5(3) 2_676 .
N22 Zn2 N21 C24 -1.5(3) . .
N15 Zn2 N21 C24 91.9(3) 2_676 .
N15 Zn2 N21 C24 -88.1(3) . .
N21 Zn2 N21 C21 -43(10) 2_676 .
N22 Zn2 N21 C21 0.6(3) 2_676 .
N22 Zn2 N21 C21 -179.4(3) . .
N15 Zn2 N21 C21 -85.9(3) 2_676 .
N15 Zn2 N21 C21 94.1(3) . .
N21 Zn2 N22 C29 5.9(3) 2_676 .
N21 Zn2 N22 C29 -174.2(3) . .
N22 Zn2 N22 C29 130(5) 2_676 .
N15 Zn2 N22 C29 99.2(3) 2_676 .
N15 Zn2 N22 C29 -80.8(3) . .
N21 Zn2 N22 C26 179.0(3) 2_676 .
N21 Zn2 N22 C26 -1.0(3) . .
N22 Zn2 N22 C26 -57(5) 2_676 .
N15 Zn2 N22 C26 -87.6(3) 2_676 .
N15 Zn2 N22 C26 92.4(3) . .
N12 Zn1 N23 C213 76.0(3) . .
N13 Zn1 N23 C213 168.1(3) . .
N11 Zn1 N23 C213 -14.5(3) . .
N14 Zn1 N23 C213 -102.7(3) . .
N12 Zn1 N23 C212 -129.1(3) . .
N13 Zn1 N23 C212 -37.0(3) . .
N11 Zn1 N23 C212 140.4(3) . .
N14 Zn1 N23 C212 52.2(3) . .
C14 N11 C11 C120 -175.4(4) . .
Zn1 N11 C11 C120 2.2(5) . .
C14 N11 C11 C12 2.9(4) . .
Zn1 N11 C11 C12 -179.5(3) . .
N11 C11 C12 C13 -1.7(5) . .
C120 C11 C12 C13 176.6(4) . .
C11 C12 C13 C14 -0.2(5) . .
C11 N11 C14 C15 173.6(4) . .
Zn1 N11 C14 C15 -4.0(5) . .
C11 N11 C14 C13 -3.0(4) . .
Zn1 N11 C14 C13 179.4(3) . .
C12 C13 C14 N11 2.0(5) . .
C12 C13 C14 C15 -174.6(4) . .
N11 C14 C15 C16 5.1(6) . .
C13 C14 C15 C16 -178.9(4) . .
N11 C14 C15 C121 -172.6(3) . .
C13 C14 C15 C121 3.4(6) . .
C19 N12 C16 C15 179.4(4) . .
Zn1 N12 C16 C15 -17.9(5) . .
C19 N12 C16 C17 -2.1(4) . .
Zn1 N12 C16 C17 160.7(3) . .
C14 C15 C16 N12 6.7(6) . .
C121 C15 C16 N12 -175.6(3) . .
C14 C15 C16 C17 -171.7(4) . .
C121 C15 C16 C17 6.0(6) . .
N12 C16 C17 C18 0.4(4) . .
C15 C16 C17 C18 179.0(4) . .
C16 C17 C18 C19 1.3(4) . .
C16 N12 C19 C110 -177.3(3) . .
Zn1 N12 C19 C110 19.7(5) . .
C16 N12 C19 C18 2.9(4) . .
Zn1 N12 C19 C18 -160.2(3) . .
C17 C18 C19 N12 -2.7(4) . .
C17 C18 C19 C110 177.5(4) . .
N12 C19 C110 C111 -1.6(6) . .
C18 C19 C110 C111 178.2(4) . .
N12 C19 C110 C126 178.7(3) . .
C18 C19 C110 C126 -1.5(5) . .
C114 N13 C111 C110 -177.8(3) . .
Zn1 N13 C111 C110 1.1(5) . .
C114 N13 C111 C112 2.1(4) . .
Zn1 N13 C111 C112 -178.9(2) . .
C19 C110 C111 N13 -9.7(6) . .
C126 C110 C111 N13 170.0(3) . .
C19 C110 C111 C112 170.4(4) . .
C126 C110 C111 C112 -10.0(5) . .
N13 C111 C112 C113 -1.2(4) . .
C110 C111 C112 C113 178.8(4) . .
C111 C112 C113 C114 -0.2(4) . .
C111 N13 C114 C115 174.1(3) . .
Zn1 N13 C114 C115 -4.8(5) . .
C111 N13 C114 C113 -2.3(4) . .
Zn1 N13 C114 C113 178.8(2) . .
C112 C113 C114 N13 1.6(4) . .
C112 C113 C114 C115 -174.8(4) . .
N13 C114 C115 C116 4.9(6) . .
C113 C114 C115 C116 -179.3(4) . .
N13 C114 C115 C132 -172.5(3) . .
C113 C114 C115 C132 3.3(6) . .
C119 N14 C116 C115 -178.7(4) . .
Zn1 N14 C116 C115 -19.7(5) . .
C119 N14 C116 C117 -0.9(4) . .
Zn1 N14 C116 C117 158.0(3) . .
C114 C115 C116 N14 8.4(6) . .
C132 C115 C116 N14 -174.1(3) . .
C114 C115 C116 C117 -169.0(4) . .
C132 C115 C116 C117 8.5(6) . .
N14 C116 C117 C118 0.4(5) . .
C115 C116 C117 C118 178.1(4) . .
C116 C117 C118 C119 0.3(5) . .
C116 N14 C119 C120 -176.9(4) . .
Zn1 N14 C119 C120 24.0(5) . .
C116 N14 C119 C118 1.1(4) . .
Zn1 N14 C119 C118 -158.0(3) . .
C117 C118 C119 N14 -0.9(5) . .
C117 C118 C119 C120 177.1(4) . .
N14 C119 C120 C11 -3.0(6) . .
C118 C119 C120 C11 179.3(4) . .
N14 C119 C120 C137 178.1(4) . .
C118 C119 C120 C137 0.4(6) . .
N11 C11 C120 C119 -11.3(6) . .
C12 C11 C120 C119 170.7(4) . .
N11 C11 C120 C137 167.6(4) . .
C12 C11 C120 C137 -10.3(6) . .
C14 C15 C121 C122 -121.2(4) . .
C16 C15 C121 C122 60.9(5) . .
C14 C15 C121 C125 59.2(5) . .
C16 C15 C121 C125 -118.7(4) . .
C125 C121 C122 C123 -1.3(6) . .
C15 C121 C122 C123 179.1(4) . .
C124 N15 C123 C122 0.1(6) . .
Zn2 N15 C123 C122 170.6(3) . .
C121 C122 C123 N15 0.7(6) . .
C123 N15 C124 C125 -0.3(6) . .
Zn2 N15 C124 C125 -171.3(3) . .
N15 C124 C125 C121 -0.3(7) . .
C122 C121 C125 C124 1.1(6) . .
C15 C121 C125 C124 -179.3(4) . .
C111 C110 C126 C131 -67.4(5) . .
C19 C110 C126 C131 112.3(4) . .
C111 C110 C126 C127 116.8(4) . .
C19 C110 C126 C127 -63.6(5) . .
C131 C126 C127 C128 0.0(6) . .
C110 C126 C127 C128 175.9(4) . .
C126 C127 C128 C129 0.2(7) . .
C127 C128 C129 C130 -0.7(8) . .
C128 C129 C130 C131 1.0(8) . .
C127 C126 C131 C130 0.3(7) . .
C110 C126 C131 C130 -175.6(4) . .
C129 C130 C131 C126 -0.8(7) . .
C114 C115 C132 C133 61.5(5) . .
C116 C115 C132 C133 -116.1(4) . .
C114 C115 C132 C136 -121.4(4) . .
C116 C115 C132 C136 61.0(5) . .
C136 C132 C133 C134 0.9(7) . .
C115 C132 C133 C134 178.1(4) . .
C135 N16 C134 C133 -0.9(8) . .
C132 C133 C134 N16 0.2(8) . .
C134 N16 C135 C136 0.6(8) . .
N16 C135 C136 C132 0.5(8) . .
C133 C132 C136 C135 -1.2(6) . .
C115 C132 C136 C135 -178.5(4) . .
C119 C120 C137 C142 122.5(4) . .
C11 C120 C137 C142 -56.5(5) . .
C119 C120 C137 C138 -55.7(6) . .
C11 C120 C137 C138 125.3(4) . .
C142 C137 C138 C139 -1.1(7) . .
C120 C137 C138 C139 177.2(5) . .
C137 C138 C139 C140 -0.1(9) . .
C138 C139 C140 C141 1.6(8) . .
C139 C140 C141 C142 -1.9(7) . .
C138 C137 C142 C141 0.8(6) . .
C120 C137 C142 C141 -177.5(4) . .
C140 C141 C142 C137 0.7(6) . .
C24 N21 C21 C215 -175.0(4) . 2_676
Zn2 N21 C21 C215 3.2(6) . 2_676
C24 N21 C21 C22 2.8(4) . .
Zn2 N21 C21 C22 -179.0(3) . .
N21 C21 C22 C23 -2.1(5) . .
C215 C21 C22 C23 175.8(4) 2_676 .
C21 C22 C23 C24 0.5(5) . .
C21 N21 C24 C25 178.0(4) . .
Zn2 N21 C24 C25 -0.2(5) . .
C21 N21 C24 C23 -2.5(4) . .
Zn2 N21 C24 C23 179.3(3) . .
C22 C23 C24 N21 1.2(5) . .
C22 C23 C24 C25 -179.2(4) . .
N21 C24 C25 C26 5.4(6) . .
C23 C24 C25 C26 -174.0(4) . .
N21 C24 C25 C210 -171.9(3) . 1_565
C23 C24 C25 C210 8.6(5) . 1_565
C29 N22 C26 C25 179.8(3) . .
Zn2 N22 C26 C25 5.5(5) . .
C29 N22 C26 C27 -0.2(4) . .
Zn2 N22 C26 C27 -174.4(2) . .
C24 C25 C26 N22 -8.2(6) . .
C210 C25 C26 N22 169.1(3) 1_565 .
C24 C25 C26 C27 171.7(4) . .
C210 C25 C26 C27 -11.0(5) 1_565 .
N22 C26 C27 C28 0.7(4) . .
C25 C26 C27 C28 -179.2(3) . .
C26 C27 C28 C29 -0.9(4) . .
C26 N22 C29 C215 177.7(4) . .
Zn2 N22 C29 C215 -8.0(5) . .
C26 N22 C29 C28 -0.4(4) . .
Zn2 N22 C29 C28 173.9(2) . .
C27 C28 C29 N22 0.8(4) . .
C27 C28 C29 C215 -177.3(4) . .
C214 C210 C211 C212 -4.0(5) . .
C25 C210 C211 C212 172.9(3) 1_545 .
C213 N23 C212 C211 3.6(6) . .
Zn1 N23 C212 C211 -152.2(3) . .
C210 C211 C212 N23 -0.1(6) . .
C212 N23 C213 C214 -3.0(5) . .
Zn1 N23 C213 C214 152.0(3) . .
N23 C213 C214 C210 -1.1(6) . .
C211 C210 C214 C213 4.6(5) . .
C25 C210 C214 C213 -172.5(3) 1_545 .
N22 C29 C215 C21 3.3(6) . 2_676
C28 C29 C215 C21 -178.9(4) . 2_676
N22 C29 C215 C216 -179.6(4) . .
C28 C29 C215 C216 -1.8(6) . .
C29 C215 C216 C217 -101.9(5) . .
C21 C215 C216 C217 75.5(5) 2_676 .
C29 C215 C216 C221 84.1(6) . .
C21 C215 C216 C221 -98.5(5) 2_676 .
C221 C216 C217 C218 -1.2(8) . .
C215 C216 C217 C218 -175.3(5) . .
C216 C217 C218 C219 0.7(9) . .
C217 C218 C219 C220 0.3(10) . .
C218 C219 C220 C221 -0.9(12) . .
C217 C216 C221 C220 0.6(9) . .
C215 C216 C221 C220 174.7(6) . .
C219 C220 C221 C216 0.4(12) . .
O11S C11S N11S C13S -0.4(16) . .
O11S C11S N11S C12S -173.9(12) . .
O21S C21S N21S C23S -5(2) . .
O21S C21S N21S C22S 172.2(10) . .
