#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:59:47 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180243 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/29/7112901.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_7112901
loop_
_publ_author_name
'Schulz, Stephan'
'Gondzik, Sebastian'
'Schuchmann, Daniella'
'Westphal, Ulrich'
'Dobrzycki, Lukasz'
'Boese, Roland'
'Harder, Sjoerd'
_publ_section_title
;
 Reactions of dizincocene with sterically demanding
 bis(iminodi(phenyl)phosphorano)methanes.
;
_journal_issue                   41
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7757
_journal_page_last               7759
_journal_paper_doi               10.1039/c0cc02859b
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C95 H86 N4 P4 Zn2'
_chemical_formula_weight         1538.30
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.1590(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.7145(15)
_cell_length_b                   9.7542(5)
_cell_length_c                   29.716(2)
_cell_measurement_reflns_used    9995
_cell_measurement_temperature    101(2)
_cell_measurement_theta_max      28.297
_cell_measurement_theta_min      2.222
_cell_volume                     7774.5(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Diamond 2.1, Diamond 3.1'
_computing_publication_material  SHELXTL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      101(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD diffractometer'
_diffrn_measurement_method       'omega and phi 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  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            49120
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    0.750
_exptl_absorpt_correction_T_max  0.929
_exptl_absorpt_correction_T_min  0.725
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Bruker SADABS (Version 2008/1)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3216
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.578
_refine_diff_density_min         -0.295
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     680
_refine_ls_number_reflns         8939
_refine_ls_number_restraints     118
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0354
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0404P)²+8.9122P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0913
_reflns_number_gt                7016
_reflns_number_total             8939
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc02859b.txt
_cod_data_source_block           sg087_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/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        7774.6(8)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7112901
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.017390(8) 0.13543(2) 0.222485(8) 0.02331(7) Uani 1 1 d . . .
P1 P 0.117553(18) 0.19236(5) 0.241689(18) 0.01918(10) Uani 1 1 d . . .
P2 P 0.026812(19) 0.27964(5) 0.142669(18) 0.02145(11) Uani 1 1 d . . .
N1 N -0.01120(6) 0.16997(17) 0.14543(6) 0.0257(4) Uani 1 1 d . A .
N2 N 0.08621(6) 0.05641(15) 0.23861(6) 0.0219(3) Uani 1 1 d . B .
C1 C 0.07253(7) 0.31172(19) 0.20549(7) 0.0217(4) Uani 1 1 d . B .
H1 H 0.0809(8) 0.398(2) 0.2143(8) 0.024(5) Uiso 1 1 d . . .
C2 C -0.0598(4) 0.1152(13) 0.1092(4) 0.017(2) Uani 0.50 1 d PD A 1
C3 C -0.0836(4) 0.1603(9) 0.0580(5) 0.0242(19) Uani 0.50 1 d PD A 1
H3 H -0.0674 0.2241 0.0469 0.029 Uiso 0.50 1 calc PR A 1
C4 C -0.1308(4) 0.1122(8) 0.0233(3) 0.030(2) Uani 0.50 1 d PD A 1
H4 H -0.1466 0.1432 -0.0114 0.036 Uiso 0.50 1 calc PR A 1
C5 C -0.1551(4) 0.0199(9) 0.0385(4) 0.031(2) Uani 0.50 1 d PD A 1
H5 H -0.1876 -0.0115 0.0147 0.038 Uiso 0.50 1 calc PR A 1
C6 C -0.1320(4) -0.0262(10) 0.0885(5) 0.0269(18) Uani 0.50 1 d PD A 1
H6 H -0.1486 -0.0901 0.0990 0.032 Uiso 0.50 1 calc PR A 1
C7 C -0.0844(5) 0.0192(12) 0.1241(4) 0.0187(17) Uani 0.50 1 d PD A 1
H7 H -0.0686 -0.0149 0.1584 0.022 Uiso 0.50 1 calc PR A 1
C2A C -0.0568(4) 0.1395(13) 0.1030(5) 0.020(2) Uani 0.50 1 d PD A 2
C3A C -0.0795(4) 0.1937(9) 0.0536(4) 0.0191(16) Uani 0.50 1 d PD A 2
H3A H -0.0621 0.2579 0.0442 0.023 Uiso 0.50 1 calc PR A 2
C4A C -0.1281(4) 0.1543(8) 0.0173(3) 0.0237(17) Uani 0.50 1 d PD A 2
H4A H -0.1431 0.1922 -0.0164 0.028 Uiso 0.50 1 calc PR A 2
C5A C -0.1542(4) 0.0612(8) 0.0300(4) 0.027(2) Uani 0.50 1 d PD A 2
H5A H -0.1872 0.0353 0.0054 0.033 Uiso 0.50 1 calc PR A 2
C6A C -0.1316(5) 0.0062(10) 0.0794(5) 0.029(2) Uani 0.50 1 d PD A 2
H6A H -0.1490 -0.0585 0.0886 0.035 Uiso 0.50 1 calc PR A 2
C7A C -0.0840(5) 0.0452(12) 0.1148(4) 0.021(2) Uani 0.50 1 d PD A 2
H7A H -0.0691 0.0068 0.1484 0.025 Uiso 0.50 1 calc PR A 2
C8 C 0.10396(8) -0.0697(2) 0.26297(8) 0.0269(4) Uani 1 1 d . . .
C9 C 0.06981(9) -0.1775(2) 0.24980(10) 0.0379(5) Uani 1 1 d . B .
H9 H 0.0358 -0.1628 0.2251 0.045 Uiso 1 1 calc R . .
C10 C 0.08499(11) -0.3054(2) 0.27241(13) 0.0535(7) Uani 1 1 d . . .
H10 H 0.0612 -0.3772 0.2631 0.064 Uiso 1 1 calc R B .
C11 C 0.13390(12) -0.3298(3) 0.30813(13) 0.0584(8) Uani 1 1 d . B .
H11 H 0.1442 -0.4180 0.3231 0.070 Uiso 1 1 calc R . .
C12 C 0.16761(11) -0.2244(3) 0.32180(12) 0.0542(8) Uani 1 1 d . . .
H12 H 0.2014 -0.2403 0.3467 0.065 Uiso 1 1 calc R B .
C13 C 0.15331(9) -0.0949(2) 0.30001(9) 0.0388(5) Uani 1 1 d . B .
H13 H 0.1772 -0.0233 0.3104 0.047 Uiso 1 1 calc R . .
C14 C 0.15284(7) 0.26181(18) 0.30663(7) 0.0237(4) Uani 0.50 1 d PD B 1
C15 C 0.1285(4) 0.2833(10) 0.3340(4) 0.029(3) Uani 0.50 1 d PD B 1
H15 H 0.0938 0.2650 0.3181 0.035 Uiso 0.50 1 calc PR B 1
C16 C 0.1530(5) 0.3316(14) 0.3850(4) 0.030(4) Uani 0.50 1 d PD B 1
H16 H 0.1351 0.3461 0.4032 0.037 Uiso 0.50 1 calc PR B 1
C17 C 0.2034(5) 0.3573(11) 0.4080(4) 0.034(2) Uani 0.50 1 d PD B 1
H17 H 0.2206 0.3893 0.4425 0.041 Uiso 0.50 1 calc PR B 1
C18 C 0.2291(3) 0.3371(7) 0.3812(4) 0.0343(17) Uani 0.50 1 d PD B 1
H18 H 0.2639 0.3548 0.3973 0.041 Uiso 0.50 1 calc PR B 1
C19 C 0.2038(4) 0.2907(9) 0.3304(4) 0.0329(19) Uani 0.50 1 d PD B 1
H19 H 0.2214 0.2786 0.3118 0.039 Uiso 0.50 1 calc PR B 1
C14A C 0.15284(7) 0.26181(18) 0.30663(7) 0.0237(4) Uani 0.50 1 d PD B 2
C15A C 0.1239(4) 0.3010(11) 0.3305(4) 0.0182(17) Uani 0.50 1 d PD B 2
H15A H 0.0886 0.3043 0.3109 0.022 Uiso 0.50 1 calc PR B 2
C16A C 0.1476(5) 0.3337(15) 0.3817(5) 0.035(4) Uani 0.50 1 d PD B 2
H16A H 0.1283 0.3599 0.3974 0.042 Uiso 0.50 1 calc PR B 2
C17A C 0.1991(5) 0.3294(12) 0.4113(4) 0.046(3) Uani 0.50 1 d PD B 2
H17A H 0.2148 0.3511 0.4470 0.055 Uiso 0.50 1 calc PR B 2
C18A C 0.2272(3) 0.2934(10) 0.3887(3) 0.065(3) Uani 0.50 1 d PD B 2
H18A H 0.2625 0.2934 0.4087 0.077 Uiso 0.50 1 calc PR B 2
C19A C 0.2047(4) 0.2571(10) 0.3370(4) 0.047(3) Uani 0.50 1 d PD B 2
H19A H 0.2247 0.2290 0.3222 0.057 Uiso 0.50 1 calc PR B 2
C20 C 0.16260(7) 0.15608(18) 0.22035(7) 0.0218(4) Uani 1 1 d . B .
C21 C 0.16350(7) 0.02840(19) 0.19984(7) 0.0249(4) Uani 1 1 d . . .
H21 H 0.1412 -0.0413 0.1983 0.030 Uiso 1 1 calc R B .
C22 C 0.19643(8) 0.0018(2) 0.18158(8) 0.0294(4) Uani 1 1 d . B .
H22 H 0.1965 -0.0855 0.1674 0.035 Uiso 1 1 calc R . .
C23 C 0.22922(8) 0.1024(2) 0.18402(9) 0.0344(5) Uani 1 1 d . . .
H23 H 0.2524 0.0836 0.1724 0.041 Uiso 1 1 calc R B .
C24 C 0.22819(8) 0.2310(2) 0.20348(10) 0.0368(5) Uani 1 1 d . B .
H24 H 0.2505 0.3004 0.2049 0.044 Uiso 1 1 calc R . .
C25 C 0.19470(8) 0.2581(2) 0.22084(9) 0.0315(5) Uani 1 1 d . . .
H25 H 0.1935 0.3471 0.2332 0.038 Uiso 1 1 calc R B .
C26 C 0.05266(7) 0.2172(2) 0.10326(7) 0.0244(4) Uani 1 1 d . B .
C27 C 0.03793(8) 0.0919(2) 0.07772(8) 0.0313(5) Uani 1 1 d . . .
H27 H 0.0120 0.0407 0.0786 0.038 Uiso 1 1 calc R B .
C28 C 0.06126(8) 0.0416(2) 0.05082(8) 0.0374(5) Uani 1 1 d . B .
H28 H 0.0508 -0.0431 0.0329 0.045 Uiso 1 1 calc R . .
C29 C 0.09918(9) 0.1138(2) 0.05011(8) 0.0368(5) Uani 1 1 d . . .
H29 H 0.1151 0.0786 0.0320 0.044 Uiso 1 1 calc R B .
C30 C 0.11428(9) 0.2377(2) 0.07560(9) 0.0360(5) Uani 1 1 d . B .
H30 H 0.1405 0.2876 0.0749 0.043 Uiso 1 1 calc R . .
C31 C 0.09127(8) 0.2897(2) 0.10215(8) 0.0299(5) Uani 1 1 d . . .
H31 H 0.1018 0.3749 0.1196 0.036 Uiso 1 1 calc R B .
C32 C -0.0081(3) 0.4317(9) 0.1141(4) 0.0175(15) Uani 0.50 1 d PD B 1
C33 C -0.0155(2) 0.4804(7) 0.0671(3) 0.0217(14) Uani 0.50 1 d PD B 1
H33 H -0.0020 0.4313 0.0491 0.026 Uiso 0.50 1 calc PR B 1
C34 C -0.0423(2) 0.5997(7) 0.0460(3) 0.0371(16) Uani 0.50 1 d PD B 1
H34 H -0.0470 0.6317 0.0137 0.045 Uiso 0.50 1 calc PR B 1
C35 C -0.0621(3) 0.6721(7) 0.0718(3) 0.0480(18) Uani 0.50 1 d PD B 1
H35 H -0.0805 0.7539 0.0574 0.058 Uiso 0.50 1 calc PR B 1
C36 C -0.0551(3) 0.6246(9) 0.1186(3) 0.042(2) Uani 0.50 1 d PD B 1
H36 H -0.0686 0.6743 0.1365 0.050 Uiso 0.50 1 calc PR B 1
C37 C -0.0286(4) 0.5049(10) 0.1398(4) 0.0246(18) Uani 0.50 1 d PD B 1
H37 H -0.0243 0.4726 0.1719 0.030 Uiso 0.50 1 calc PR B 1
C32A C 0.0025(3) 0.4551(8) 0.1174(4) 0.0163(15) Uani 0.50 1 d PD B 2
C33A C -0.0017(2) 0.5094(7) 0.0721(3) 0.0226(14) Uani 0.50 1 d PD B 2
H33A H 0.0109 0.4600 0.0533 0.027 Uiso 0.50 1 calc PR B 2
C34A C -0.0243(2) 0.6351(6) 0.0545(3) 0.0306(13) Uani 0.50 1 d PD B 2
H34A H -0.0274 0.6719 0.0234 0.037 Uiso 0.50 1 calc PR B 2
C35A C -0.0424(2) 0.7075(6) 0.0817(3) 0.0303(13) Uani 0.50 1 d PD B 2
H35A H -0.0574 0.7947 0.0697 0.036 Uiso 0.50 1 calc PR B 2
C36A C -0.0387(3) 0.6540(9) 0.1262(3) 0.0334(18) Uani 0.50 1 d PD B 2
H36A H -0.0514 0.7038 0.1449 0.040 Uiso 0.50 1 calc PR B 2
C37A C -0.0165(4) 0.5269(11) 0.1439(4) 0.028(2) Uani 0.50 1 d PD B 2
H37A H -0.0144 0.4893 0.1744 0.034 Uiso 0.50 1 calc PR B 2
C1S C 0.10312(14) 0.6906(4) 0.13114(15) 0.0501(19) Uani 0.60 1 d PG C 3
H1S H 0.0781 0.7320 0.1367 0.060 Uiso 0.30 1 calc PR C 3
C2S C 0.14881(17) 0.6547(6) 0.17270(11) 0.048(4) Uani 0.60 1 d PG C 3
H2S H 0.1552 0.6705 0.2069 0.058 Uiso 0.60 1 d PG C 3
C3S C 0.18545(14) 0.5952(6) 0.16394(11) 0.0422(15) Uani 0.60 1 d PG C 3
H3S H 0.2168 0.5716 0.1924 0.051 Uiso 0.60 1 d PG C 3
C4S C 0.17641(12) 0.5705(4) 0.11417(13) 0.0396(13) Uani 0.60 1 d PG C 3
H4S H 0.2014 0.5303 0.1083 0.047 Uiso 0.30 1 calc PR C 3
C5S C 0.13025(12) 0.6053(4) 0.07292(10) 0.0426(13) Uani 0.60 1 d PG C 3
H5S H 0.1235 0.5875 0.0387 0.051 Uiso 0.60 1 d PG C 3
C6S C 0.09426(11) 0.6652(4) 0.08129(12) 0.0426(13) Uani 0.60 1 d PG C 3
H6S H 0.0630 0.6896 0.0527 0.051 Uiso 0.60 1 d PG C 3
C7SA C 0.06297(18) 0.7570(6) 0.1358(2) 0.044(2) Uani 0.30 1 d PG C 3
H7S1 H 0.0346 0.7726 0.1014 0.066 Uiso 0.30 1 d PG C 3
H7S2 H 0.0747 0.8451 0.1536 0.066 Uiso 0.30 1 d PG C 3
H7S3 H 0.0526 0.6981 0.1556 0.066 Uiso 0.30 1 d PG C 3
C7SB C 0.21465(16) 0.5135(6) 0.1040(2) 0.049(2) Uani 0.30 1 d PG C 3
H7S4 H 0.2013 0.5044 0.0667 0.073 Uiso 0.30 1 d PG C 3
H7S5 H 0.2248 0.4232 0.1202 0.073 Uiso 0.30 1 d PG C 3
H7S6 H 0.2436 0.5748 0.1181 0.073 Uiso 0.30 1 d PG C 3
C1X C 0.1562(2) 0.6007(5) 0.0859(2) 0.056(3) Uani 0.40 1 d PG D 4
H1X H 0.1589 0.5842 0.0559 0.067 Uiso 0.10 1 calc PR D 4
C2X C 0.19400(18) 0.5602(7) 0.1335(3) 0.071(4) Uani 0.40 1 d PG D 4
H2X H 0.2228 0.5163 0.1362 0.085 Uiso 0.40 1 d PG D 4
C3X C 0.1901(3) 0.5833(10) 0.1775(2) 0.064(4) Uani 0.40 1 d PG D 4
H3X H 0.2159 0.5546 0.2102 0.077 Uiso 0.40 1 d PG D 4
C4X C 0.1482(3) 0.6486(9) 0.1733(2) 0.072(8) Uani 0.40 1 d PG D 4
H4X H 0.1457 0.6654 0.2034 0.087 Uiso 0.30 1 calc PR D 4
C5X C 0.1098(2) 0.6898(8) 0.1257(3) 0.061(3) Uani 0.40 1 d PG D 4
H5X H 0.0810 0.7338 0.1229 0.073 Uiso 0.40 1 d PG D 4
C6X C 0.11461(19) 0.6648(7) 0.0819(2) 0.054(3) Uani 0.40 1 d PG D 4
H6X H 0.0888 0.6926 0.0490 0.065 Uiso 0.40 1 d PG D 4
C7XA C 0.1618(3) 0.5745(8) 0.0418(3) 0.070(3) Uani 0.30 1 d PG D 4
H7X1 H 0.1942 0.5311 0.0527 0.105 Uiso 0.30 1 d PG D 4
H7X2 H 0.1601 0.6612 0.0243 0.105 Uiso 0.30 1 d PG D 4
H7X3 H 0.1351 0.5134 0.0181 0.105 Uiso 0.30 1 d PG D 4
C7XB C 0.1440(5) 0.6677(14) 0.2184(3) 0.076(10) Uiso 0.10 1 d PG D 4
H7X4 H 0.1127 0.7150 0.2094 0.114 Uiso 0.10 1 d PG D 4
H7X5 H 0.1721 0.7231 0.2433 0.114 Uiso 0.10 1 d PG D 4
H7X6 H 0.1444 0.5784 0.2337 0.114 Uiso 0.10 1 d PG D 4
C1T C 0.2881(3) 0.7918(8) 0.5073(3) 0.060(5) Uiso 0.20 1 d PG . 4
C2T C 0.2740(3) 0.7099(9) 0.4634(3) 0.048(3) Uiso 0.20 1 d PG . 4
H2T H 0.2950 0.7014 0.4485 0.058 Uiso 0.20 1 d PG . 4
C3T C 0.2284(3) 0.6415(9) 0.4424(3) 0.041(3) Uiso 0.20 1 d PG . 4
H3T H 0.2182 0.5860 0.4127 0.049 Uiso 0.20 1 d PG . 4
C4T C 0.1979(3) 0.6537(10) 0.4643(3) 0.040(6) Uiso 0.20 1 d PG . 4
H4T H 0.1671 0.6060 0.4497 0.048 Uiso 0.20 1 d PG . 4
C5T C 0.2120(3) 0.7347(12) 0.5074(4) 0.059(3) Uiso 0.20 1 d PGU . 4
H5T H 0.1908 0.7433 0.5221 0.071 Uiso 0.20 1 d PG . 4
C6T C 0.2576(3) 0.8039(11) 0.5292(3) 0.047(5) Uiso 0.20 1 d PG . 4
H6T H 0.2676 0.8591 0.5590 0.056 Uiso 0.20 1 d PG . 4
C7T C 0.3359(3) 0.8629(12) 0.5292(4) 0.052(3) Uiso 0.20 1 d PGU . 4
H7T1 H 0.3511 0.8476 0.5073 0.078 Uiso 0.20 1 d PG . 4
H7T2 H 0.3580 0.8275 0.5639 0.078 Uiso 0.20 1 d PG . 4
H7T3 H 0.3307 0.9614 0.5311 0.078 Uiso 0.20 1 d PG . 4
C1U C 0.2822(3) 0.8239(9) 0.5048(4) 0.038(3) Uiso 0.20 1 d PG E -6
C2U C 0.2754(4) 0.7949(11) 0.5463(4) 0.041(4) Uiso 0.20 1 d PG E -6
H2U H 0.2974 0.8333 0.5791 0.049 Uiso 0.20 1 d PG E -6
C3U C 0.2367(4) 0.7095(12) 0.5408(5) 0.054(4) Uiso 0.20 1 d PG E -6
H3U H 0.2323 0.6899 0.5697 0.064 Uiso 0.20 1 d PG E -6
C4U C 0.2044(4) 0.6534(11) 0.4930(5) 0.061(4) Uiso 0.20 1 d PG E -6
H4U H 0.1779 0.5956 0.4890 0.073 Uiso 0.20 1 d PG E -6
C5U C 0.2111(4) 0.6820(11) 0.4510(4) 0.046(3) Uiso 0.20 1 d PG E -6
H5U H 0.1893 0.6434 0.4183 0.055 Uiso 0.20 1 d PG E -6
C6U C 0.2497(4) 0.7672(10) 0.4569(4) 0.056(3) Uiso 0.20 1 d PGU E -6
H6U H 0.2541 0.7870 0.4280 0.067 Uiso 0.20 1 d PG E -6
C7U C 0.3240(4) 0.9162(11) 0.5089(4) 0.051(3) Uiso 0.20 1 d PGU E -6
H7U1 H 0.3229 0.9208 0.4754 0.077 Uiso 0.20 1 d PG E -6
H7U2 H 0.3563 0.8786 0.5346 0.077 Uiso 0.20 1 d PG E -6
H7U3 H 0.3199 1.0084 0.5193 0.077 Uiso 0.20 1 d PG E -6
C1V C 0.2271(5) 0.7172(16) 0.4905(5) 0.027(4) Uiso 0.10 1 d PGU F -7
C2V C 0.2341(5) 0.7027(16) 0.4483(4) 0.042(4) Uiso 0.10 1 d PGU F -7
H2V H 0.2095 0.6580 0.4182 0.050 Uiso 0.10 1 d PG F -7
C3V C 0.2772(6) 0.7534(17) 0.4495(5) 0.032(4) Uiso 0.10 1 d PGU F -7
H3V H 0.2819 0.7435 0.4204 0.039 Uiso 0.10 1 d PG F -7
C4V C 0.3133(5) 0.8187(17) 0.4937(6) 0.033(4) Uiso 0.10 1 d PGU F -7
H4V H 0.3428 0.8529 0.4949 0.040 Uiso 0.10 1 d PG F -7
C5V C 0.3060(6) 0.834(2) 0.5362(6) 0.050(15) Uiso 0.10 1 d PG F -7
H5V H 0.3304 0.8790 0.5662 0.060 Uiso 0.10 1 d PG F -7
C6V C 0.2632(7) 0.783(2) 0.5347(5) 0.029(8) Uiso 0.10 1 d PG F -7
H6V H 0.2585 0.7925 0.5638 0.034 Uiso 0.10 1 d PG F -7
C7V C 0.1809(6) 0.665(2) 0.4903(9) 0.044(7) Uiso 0.10 1 d PG F -7
H7V1 H 0.1831 0.6832 0.5238 0.065 Uiso 0.10 1 d PG F -7
H7V2 H 0.1780 0.5655 0.4840 0.065 Uiso 0.10 1 d PG F -7
H7V3 H 0.1515 0.7107 0.4631 0.065 Uiso 0.10 1 d PG F -7
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'
P P 0.1023 0.0942 '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
N1 Zn1 N2 98.82(6) . .
N1 Zn1 Zn1 133.46(5) . 2
N2 Zn1 Zn1 126.65(5) . 2
N1 Zn1 P2 32.84(5) . .
N2 Zn1 P2 82.66(4) . .
Zn1 Zn1 P2 146.353(13) 2 .
N1 Zn1 P1 91.40(5) . .
N2 Zn1 P1 32.95(4) . .
Zn1 Zn1 P1 131.495(16) 2 .
P2 Zn1 P1 63.063(14) . .
N2 P1 C1 104.14(9) . .
N2 P1 C20 110.79(8) . .
C1 P1 C20 115.43(9) . .
N2 P1 C14 113.33(8) . .
C1 P1 C14 106.98(9) . .
C20 P1 C14 106.32(9) . .
C1 P1 Zn1 63.56(7) . .
C20 P1 Zn1 144.19(6) . .
C14 P1 Zn1 107.86(7) . .
N1 P2 C1 106.95(9) . .
N1 P2 C32 107.1(2) . .
C1 P2 C32 110.2(3) . .
N1 P2 C26 111.45(9) . .
C1 P2 C26 112.15(9) . .
C32 P2 C26 108.9(4) . .
N1 P2 C32A 118.0(2) . .
C1 P2 C32A 102.9(3) . .
C26 P2 C32A 105.2(3) . .
C1 P2 Zn1 63.67(7) . .
C32 P2 Zn1 121.2(3) . .
C26 P2 Zn1 128.14(6) . .
C32A P2 Zn1 126.5(3) . .
C2A N1 P2 122.1(5) . .
C2 N1 P2 135.6(5) . .
C2A N1 Zn1 132.6(6) . .
C2 N1 Zn1 119.7(5) . .
P2 N1 Zn1 103.87(8) . .
C8 N2 P1 128.49(14) . .
C8 N2 Zn1 122.93(13) . .
P1 N2 Zn1 102.72(8) . .
P1 C1 P2 122.20(11) . .
P1 C1 H1 115.4(14) . .
P2 C1 H1 117.4(14) . .
C3 C2 C7 118.4(7) . .
C3 C2 N1 119.6(9) . .
C7 C2 N1 122.0(9) . .
C4 C3 C2 120.3(7) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C5 C4 C3 120.9(7) . .
C5 C4 H4 119.6 . .
C3 C4 H4 119.6 . .
C6 C5 C4 119.4(7) . .
C6 C5 H5 120.3 . .
C4 C5 H5 120.3 . .
C5 C6 C7 121.1(7) . .
C5 C6 H6 119.5 . .
C7 C6 H6 119.5 . .
C6 C7 C2 119.9(7) . .
C6 C7 H7 120.0 . .
C2 C7 H7 120.0 . .
N1 C2A C3A 130.2(10) . .
N1 C2A C7A 112.1(10) . .
C3A C2A C7A 117.6(8) . .
C2A C3A C4A 120.5(7) . .
C2A C3A H3A 119.8 . .
C4A C3A H3A 119.8 . .
C5A C4A C3A 120.8(7) . .
C5A C4A H4A 119.6 . .
C3A C4A H4A 119.6 . .
C4A C5A C6A 118.9(7) . .
C4A C5A H5A 120.5 . .
C6A C5A H5A 120.5 . .
C7A C6A C5A 120.1(7) . .
C7A C6A H6A 120.0 . .
C5A C6A H6A 120.0 . .
C6A C7A C2A 122.1(7) . .
C6A C7A H7A 118.9 . .
C2A C7A H7A 118.9 . .
C13 C8 N2 124.39(19) . .
C13 C8 C9 117.8(2) . .
N2 C8 C9 117.81(19) . .
C10 C9 C8 120.8(2) . .
C10 C9 H9 119.6 . .
C8 C9 H9 119.6 . .
C11 C10 C9 120.9(2) . .
C11 C10 H10 119.5 . .
C9 C10 H10 119.5 . .
C12 C11 C10 118.8(2) . .
C12 C11 H11 120.6 . .
C10 C11 H11 120.6 . .
C11 C12 C13 121.4(3) . .
C11 C12 H12 119.3 . .
C13 C12 H12 119.3 . .
C12 C13 C8 120.2(2) . .
C12 C13 H13 119.9 . .
C8 C13 H13 119.9 . .
C15 C14 C19 118.2(7) . .
C15 C14 P1 118.2(5) . .
C19 C14 P1 123.5(5) . .
C14 C15 C16 122.3(8) . .
C14 C15 H15 118.8 . .
C16 C15 H15 118.8 . .
C17 C16 C15 118.5(8) . .
C17 C16 H16 120.7 . .
C15 C16 H16 120.7 . .
C16 C17 C18 120.5(7) . .
C16 C17 H17 119.7 . .
C18 C17 H17 119.7 . .
C17 C18 C19 119.8(8) . .
C17 C18 H18 120.1 . .
C19 C18 H18 120.1 . .
C18 C19 C14 120.5(8) . .
C18 C19 H19 119.7 . .
C14 C19 H19 119.7 . .
C16A C15A H15A 120.3 . .
C15A C16A C17A 121.6(8) . .
C15A C16A H16A 119.2 . .
C17A C16A H16A 119.2 . .
C18A C17A C16A 119.4(7) . .
C18A C17A H17A 120.3 . .
C16A C17A H17A 120.3 . .
C17A C18A C19A 121.0(7) . .
C17A C18A H18A 119.5 . .
C19A C18A H18A 119.5 . .
C18A C19A H19A 120.0 . .
C21 C20 C25 118.53(18) . .
C21 C20 P1 120.54(14) . .
C25 C20 P1 120.79(15) . .
C22 C21 C20 120.87(18) . .
C22 C21 H21 119.6 . .
C20 C21 H21 119.6 . .
C23 C22 C21 119.88(19) . .
C23 C22 H22 120.1 . .
C21 C22 H22 120.1 . .
C22 C23 C24 120.0(2) . .
C22 C23 H23 120.0 . .
C24 C23 H23 120.0 . .
C25 C24 C23 120.1(2) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C24 C25 C20 120.63(19) . .
C24 C25 H25 119.7 . .
C20 C25 H25 119.7 . .
C27 C26 C31 119.09(19) . .
C27 C26 P2 121.27(17) . .
C31 C26 P2 119.37(15) . .
C26 C27 C28 119.9(2) . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C29 C28 C27 120.3(2) . .
C29 C28 H28 119.8 . .
C27 C28 H28 119.8 . .
C28 C29 C30 120.2(2) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C29 C30 C31 120.3(2) . .
C29 C30 H30 119.9 . .
C31 C30 H30 119.9 . .
C30 C31 C26 120.2(2) . .
C30 C31 H31 119.9 . .
C26 C31 H31 119.9 . .
C33 C32 C37 118.6(8) . .
C33 C32 P2 122.0(8) . .
C37 C32 P2 119.4(7) . .
C32 C33 C34 120.9(7) . .
C32 C33 H33 119.5 . .
C34 C33 H33 119.5 . .
C35 C34 C33 120.1(6) . .
C35 C34 H34 119.9 . .
C33 C34 H34 119.9 . .
C36 C35 C34 119.5(6) . .
C36 C35 H35 120.2 . .
C34 C35 H35 120.2 . .
C35 C36 C37 120.6(7) . .
C35 C36 H36 119.7 . .
C37 C36 H36 119.7 . .
C36 C37 C32 120.1(8) . .
C36 C37 H37 119.9 . .
C32 C37 H37 119.9 . .
C37A C32A C33A 119.5(7) . .
C37A C32A P2 115.6(7) . .
C33A C32A P2 124.6(7) . .
C34A C33A C32A 119.8(7) . .
C34A C33A H33A 120.1 . .
C32A C33A H33A 120.1 . .
C35A C34A C33A 120.3(6) . .
C35A C34A H34A 119.9 . .
C33A C34A H34A 119.9 . .
C36A C35A C34A 120.2(6) . .
C36A C35A H35A 119.9 . .
C34A C35A H35A 119.9 . .
C35A C36A C37A 119.8(7) . .
C35A C36A H36A 120.1 . .
C37A C36A H36A 120.1 . .
C32A C37A C36A 120.3(8) . .
C32A C37A H37A 119.8 . .
C36A C37A H37A 119.8 . .
C2S C1S C6S 119.4 . .
C2S C1S H1S 120.3 . .
C6S C1S H1S 120.3 . .
C1S C2S C3S 119.7 . .
C4S C3S C2S 120.6 . .
C3S C4S C5S 119.1 . .
C3S C4S H4S 120.5 . .
C5S C4S H4S 120.5 . .
C6S C5S C4S 120.5 . .
C5S C6S C1S 120.7 . .
C6X C1X C2X 120.1 . .
C6X C1X H1X 119.9 . .
C2X C1X H1X 119.9 . .
H5S C1X H1X 47.9 . .
C1X C2X C3X 120.2 . .
C4X C3X C2X 119.5 . .
C3X C4X C5X 121.0 . .
C3X C4X H4X 119.5 . .
C5X C4X H4X 119.5 . .
C4X C5X C6X 118.3 . .
C1X C6X C5X 120.9 . .
C5T C1T C4T 154(2) 7_566 7_566
C5T C1T C6T 136.8(14) 7_566 .
C4T C1T C6T 68.7(11) 7_566 .
C4T C1T C2T 170.5(11) 7_566 .
C6T C1T C2T 120.8 . .
C5T C1T C7T 102.1(14) 7_566 .
C4T C1T C7T 52.4(11) 7_566 .
C6T C1T C7T 121.0 . .
C2T C1T C7T 118.2 . .
C5T C1T C6T 58.6(12) 7_566 7_566
C4T C1T C6T 146.9(13) 7_566 7_566
C6T C1T C6T 78.2(5) . 7_566
C7T C1T C6T 160.7(5) . 7_566
C5T C1T C3T 162.9(18) 7_566 7_566
C2T C1T C3T 147.1(6) . 7_566
C7T C1T C3T 94.7(6) . 7_566
C6T C1T C3T 104.5(7) 7_566 7_566
C5T C2T C6T 86.4(9) 7_566 7_566
C5T C2T C3T 127.1(8) 7_566 .
C6T C2T C1T 77.8(6) 7_566 .
C3T C2T C1T 118.5 . .
C6T C3T C4T 68.5(9) 7_566 .
C6T C3T C2T 52.1(9) 7_566 .
C4T C3T C2T 120.7 . .
C2T C3T C1T 94.4(4) . 7_566
C1T C4T C7T 89.2(14) 7_566 7_566
C1T C4T C6T 72.5(8) 7_566 7_566
C7T C4T C6T 161.7(16) 7_566 7_566
C7T C4T C5T 80.1(12) 7_566 .
C6T C4T C5T 81.6(5) 7_566 .
C1T C4T C3T 111.4(8) 7_566 .
C7T C4T C3T 159.4(12) 7_566 .
C5T C4T C3T 120.5 . .
C1T C5T C2T 155(2) 7_566 7_566
C2T C5T C4T 171.7(10) 7_566 .
C1T C5T C6T 103.4(14) 7_566 .
C2T C5T C6T 51.9(10) 7_566 .
C4T C5T C6T 119.8 . .
C1T C5T C7T 60.3(16) 7_566 7_566
C2T C5T C7T 144.3(11) 7_566 7_566
C6T C5T C7T 163.7(8) . 7_566
C2T C5T C6T 123.3(12) 7_566 7_566
C4T C5T C6T 48.4(4) . 7_566
C6T C5T C6T 71.4(4) . 7_566
C7T C5T C6T 92.3(8) 7_566 7_566
C3T C6T C2T 87.1(10) 7_566 7_566
C3T C6T C4T 72.6(10) 7_566 7_566
C2T C6T C4T 159.7(11) 7_566 7_566
C3T C6T C1T 111.4(13) 7_566 .
C2T C6T C1T 161.4(10) 7_566 .
C3T C6T C5T 128.8(13) 7_566 .
C4T C6T C5T 158.6(6) 7_566 .
C1T C6T C5T 119.8 . .
C3T C6T C1T 146.8(16) 7_566 7_566
C2T C6T C1T 59.7(9) 7_566 7_566
C4T C6T C1T 140.6(10) 7_566 7_566
C1T C6T C1T 101.8(4) . 7_566
C3T C6T C5T 122.6(14) 7_566 7_566
C2T C6T C5T 150.2(11) 7_566 7_566
C4T C6T C5T 50.0(5) 7_566 7_566
C5T C6T C5T 108.6(4) . 7_566
C1T C6T C5T 90.6(6) 7_566 7_566
C3T C6T C6T 167.2(15) 7_566 7_566
C2T C6T C6T 105.6(10) 7_566 7_566
C4T C6T C6T 94.7(7) 7_566 7_566
C1T C6T C6T 55.8(4) . 7_566
C5T C6T C6T 63.9(4) . 7_566
C1T C6T C6T 45.9(3) 7_566 7_566
C4T C7T C5T 56.0(5) 7_566 7_566
C2U C1U C6U 119.3 . .
C2U C1U C7U 122.6 . .
C6U C1U C7U 118.1 . .
C1U C2U C3U 120.7 . .
C4U C3U C2U 119.8 . .
C5U C4U C3U 119.8 . .
C4U C5U C6U 120.0 . .
C5U C6U C1U 120.5 . .
C2V C1V C6V 119.7 . .
C2V C1V C7V 121.7 . .
C6V C1V C7V 118.6 . .
C1V C2V C3V 120.4 . .
C4V C3V C2V 119.7 . .
C5V C4V C3V 119.9 . .
C6V C5V C4V 120.1 . .
C5V C6V C1V 120.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N1 2.0417(16) .
Zn1 N2 2.0746(16) .
Zn1 Zn1 2.3490(5) 2
Zn1 P2 2.8909(6) .
Zn1 P1 2.8962(5) .
P1 N2 1.6149(16) .
P1 C1 1.7249(19) .
P1 C20 1.816(2) .
P1 C14 1.8219(19) .
P2 N1 1.6148(18) .
P2 C1 1.7321(19) .
P2 C32 1.784(9) .
P2 C26 1.811(2) .
P2 C32A 1.872(8) .
N1 C2A 1.385(12) .
N1 C2 1.451(10) .
N2 C8 1.396(2) .
C1 H1 0.88(2) .
C2 C3 1.401(11) .
C2 C7 1.403(10) .
C3 C4 1.388(11) .
C3 H3 0.9500 .
C4 C5 1.379(9) .
C4 H4 0.9500 .
C5 C6 1.372(10) .
C5 H5 0.9500 .
C6 C7 1.395(11) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C2A C3A 1.388(12) .
C2A C7A 1.397(10) .
C3A C4A 1.402(10) .
C3A H3A 0.9500 .
C4A C5A 1.382(8) .
C4A H4A 0.9500 .
C5A C6A 1.388(10) .
C5A H5A 0.9500 .
C6A C7A 1.375(11) .
C6A H6A 0.9500 .
C7A H7A 0.9500 .
C8 C13 1.394(3) .
C8 C9 1.400(3) .
C9 C10 1.385(3) .
C9 H9 0.9500 .
C10 C11 1.373(4) .
C10 H10 0.9500 .
C11 C12 1.372(4) .
C11 H11 0.9500 .
C12 C13 1.389(3) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.363(11) .
C14 C19 1.396(11) .
C15 C16 1.403(11) .
C15 H15 0.9500 .
C16 C17 1.378(12) .
C16 H16 0.9500 .
C17 C18 1.381(12) .
C17 H17 0.9500 .
C18 C19 1.395(11) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C15A C16A 1.367(12) .
C15A H15A 0.9500 .
C16A C17A 1.385(12) .
C16A H16A 0.9500 .
C17A C18A 1.373(11) .
C17A H17A 0.9500 .
C18A C19A 1.389(10) .
C18A H18A 0.9500 .
C19A H19A 0.9500 .
C20 C21 1.393(3) .
C20 C25 1.396(3) .
C21 C22 1.386(3) .
C21 H21 0.9500 .
C22 C23 1.383(3) .
C22 H22 0.9500 .
C23 C24 1.388(3) .
C23 H23 0.9500 .
C24 C25 1.382(3) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 C27 1.393(3) .
C26 C31 1.395(3) .
C27 C28 1.397(3) .
C27 H27 0.9500 .
C28 C29 1.370(3) .
C28 H28 0.9500 .
C29 C30 1.381(3) .
C29 H29 0.9500 .
C30 C31 1.387(3) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C32 C33 1.386(11) .
C32 C37 1.399(12) .
C33 C34 1.387(9) .
C33 H33 0.9500 .
C34 C35 1.385(9) .
C34 H34 0.9500 .
C35 C36 1.379(10) .
C35 H35 0.9500 .
C36 C37 1.387(11) .
C36 H36 0.9500 .
C37 H37 0.9500 .
C32A C37A 1.378(12) .
C32A C33A 1.392(11) .
C33A C34A 1.380(9) .
C33A H33A 0.9500 .
C34A C35A 1.378(9) .
C34A H34A 0.9500 .
C35A C36A 1.375(10) .
C35A H35A 0.9500 .
C36A C37A 1.389(11) .
C36A H36A 0.9500 .
C37A H37A 0.9500 .
C1S C2S 1.3887 .
C1S C6S 1.3918 .
C1S H1S 0.9500 .
C2S C3S 1.3986 .
C2S H2S 0.9497 .
C3S C4S 1.3866 .
C3S H3S 0.9500 .
C4S C5S 1.3909 .
C4S H4S 0.9500 .
C5S C6S 1.3760 .
C5S H5S 0.9500 .
C6S H6S 0.9500 .
C7SA H7S1 0.9800 .
C7SA H7S2 0.9800 .
C7SA H7S3 0.9799 .
C7SB H7S4 0.9801 .
C7SB H7S5 0.9800 .
C7SB H7S6 0.9801 .
C1X C6X 1.3732 .
C1X C2X 1.3811 .
C1X H1X 0.9500 .
C2X C3X 1.3878 .
C2X H2X 0.9499 .
C3X C4X 1.3859 .
C3X H3X 0.9500 .
C4X C5X 1.3889 .
C4X H4X 0.9500 .
C5X C6X 1.4000 .
C5X H5X 0.9499 .
C6X H6X 0.9500 .
C7XA H7X1 0.9801 .
C7XA H7X2 0.9800 .
C7XA H7X3 0.9800 .
C7XB H7X4 0.9800 .
C7XB H7X5 0.9800 .
C7XB H7X6 0.9800 .
C1T C5T 0.506(14) 7_566
C1T C4T 0.908(13) 7_566
C1T C6T 1.3813 .
C1T C2T 1.4052 .
C1T C7T 1.4596 .
C1T C6T 1.591(12) 7_566
C1T C3T 1.912(14) 7_566
C2T C5T 0.930(14) 7_566
C2T C6T 1.101(14) 7_566
C2T C3T 1.3933 .
C2T H2T 0.9500 .
C3T C6T 0.910(11) 7_566
C3T C4T 1.3831 .
C3T C1T 1.911(12) 7_566
C3T H3T 0.9499 .
C4T C1T 0.908(12) 7_566
C4T C7T 1.156(15) 7_566
C4T C6T 1.349(13) 7_566
C4T C5T 1.3813 .
C4T H4T 0.9501 .
C5T C1T 0.506(12) 7_566
C5T C2T 0.930(18) 7_566
C5T C6T 1.3960 .
C5T C7T 1.642(17) 7_566
C5T C6T 1.784(14) 7_566
C5T H5T 0.9499 .
C6T C3T 0.910(12) 7_566
C6T C2T 1.101(15) 7_566
C6T C4T 1.349(16) 7_566
C6T C1T 1.591(12) 7_566
C6T C5T 1.784(13) 7_566
C6T C6T 1.882(12) 7_566
C6T H6T 0.9499 .
C7T C4T 1.156(18) 7_566
C7T C5T 1.642(13) 7_566
C7T H7T1 0.9800 .
C7T H7T2 0.9799 .
C7T H7T3 0.9800 .
C1U C2U 1.3776 .
C1U C6U 1.3948 .
C1U C7U 1.5243 .
C2U C3U 1.3961 .
C2U H2U 0.9501 .
C3U C4U 1.3897 .
C3U H3U 0.9500 .
C4U C5U 1.3876 .
C4U H4U 0.9499 .
C5U C6U 1.3880 .
C5U H5U 0.9499 .
C6U H6U 0.9500 .
C7U H7U1 0.9800 .
C7U H7U2 0.9800 .
C7U H7U3 0.9800 .
C1V C2V 1.3821 .
C1V C6V 1.3937 .
C1V C7V 1.5054 .
C2V C3V 1.3968 .
C2V H2V 0.9499 .
C3V C4V 1.3925 .
C3V H3V 0.9500 .
C4V C5V 1.3910 .
C4V H4V 0.9501 .
C5V C6V 1.3849 .
C5V H5V 0.9501 .
C6V H6V 0.9501 .
C7V H7V1 0.9801 .
C7V H7V2 0.9800 .
C7V H7V3 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
N1 Zn1 P1 N2 -104.14(9) . .
Zn1 Zn1 P1 N2 95.77(8) 2 .
P2 Zn1 P1 N2 -121.37(8) . .
N1 Zn1 P1 C1 49.95(8) . .
N2 Zn1 P1 C1 154.09(11) . .
Zn1 Zn1 P1 C1 -110.14(7) 2 .
P2 Zn1 P1 C1 32.72(7) . .
N1 Zn1 P1 C20 -47.55(11) . .
N2 Zn1 P1 C20 56.59(13) . .
Zn1 Zn1 P1 C20 152.36(10) 2 .
P2 Zn1 P1 C20 -64.78(10) . .
N1 Zn1 P1 C14 150.46(8) . .
N2 Zn1 P1 C14 -105.39(10) . .
Zn1 Zn1 P1 C14 -9.63(7) 2 .
P2 Zn1 P1 C14 133.23(6) . .
N2 Zn1 P2 N1 118.99(10) . .
Zn1 Zn1 P2 N1 -87.79(9) 2 .
P1 Zn1 P2 N1 146.91(9) . .
N1 Zn1 P2 C1 -179.45(12) . .
N2 Zn1 P2 C1 -60.46(8) . .
Zn1 Zn1 P2 C1 92.76(8) 2 .
P1 Zn1 P2 C1 -32.54(7) . .
N1 Zn1 P2 C32 81.8(3) . .
N2 Zn1 P2 C32 -159.2(3) . .
Zn1 Zn1 P2 C32 -6.0(3) 2 .
P1 Zn1 P2 C32 -131.3(3) . .
N1 Zn1 P2 C26 -81.05(12) . .
N2 Zn1 P2 C26 37.94(9) . .
Zn1 Zn1 P2 C26 -168.83(8) 2 .
P1 Zn1 P2 C26 65.86(8) . .
N1 Zn1 P2 C32A 93.8(3) . .
N2 Zn1 P2 C32A -147.2(3) . .
Zn1 Zn1 P2 C32A 6.0(3) 2 .
P1 Zn1 P2 C32A -119.3(3) . .
C1 P2 N1 C2A 168.5(7) . .
C32 P2 N1 C2A 50.3(8) . .
C26 P2 N1 C2A -68.6(7) . .
C32A P2 N1 C2A 53.2(8) . .
Zn1 P2 N1 C2A 167.9(7) . .
C1 P2 N1 C2 169.4(8) . .
C32 P2 N1 C2 51.3(9) . .
C26 P2 N1 C2 -67.7(8) . .
C32A P2 N1 C2 54.2(9) . .
Zn1 P2 N1 C2 168.9(8) . .
C1 P2 N1 Zn1 0.51(11) . .
C32 P2 N1 Zn1 -117.6(4) . .
C26 P2 N1 Zn1 123.42(9) . .
C32A P2 N1 Zn1 -114.7(4) . .
N2 Zn1 N1 C2A 132.5(8) . .
Zn1 Zn1 N1 C2A -35.8(8) 2 .
P2 Zn1 N1 C2A -166.1(8) . .
P1 Zn1 N1 C2A 164.8(8) . .
N2 Zn1 N1 C2 127.5(6) . .
Zn1 Zn1 N1 C2 -40.8(6) 2 .
P2 Zn1 N1 C2 -171.1(7) . .
P1 Zn1 N1 C2 159.8(6) . .
N2 Zn1 N1 P2 -61.39(9) . .
Zn1 Zn1 N1 P2 130.29(6) 2 .
P1 Zn1 N1 P2 -29.13(8) . .
C1 P1 N2 C8 -176.87(17) . .
C20 P1 N2 C8 58.42(19) . .
C14 P1 N2 C8 -60.99(19) . .
Zn1 P1 N2 C8 -153.1(2) . .
C1 P1 N2 Zn1 -23.79(10) . .
C20 P1 N2 Zn1 -148.50(8) . .
C14 P1 N2 Zn1 92.09(9) . .
N1 Zn1 N2 C8 -126.16(15) . .
Zn1 Zn1 N2 C8 43.28(17) 2 .
P2 Zn1 N2 C8 -154.85(15) . .
P1 Zn1 N2 C8 155.0(2) . .
N1 Zn1 N2 P1 78.81(9) . .
Zn1 Zn1 N2 P1 -111.74(6) 2 .
P2 Zn1 N2 P1 50.13(7) . .
N2 P1 C1 P2 -53.55(15) . .
C20 P1 C1 P2 68.12(15) . .
C14 P1 C1 P2 -173.81(12) . .
Zn1 P1 C1 P2 -71.90(11) . .
N1 P2 C1 P1 71.67(15) . .
C32 P2 C1 P1 -172.3(3) . .
C26 P2 C1 P1 -50.79(16) . .
C32A P2 C1 P1 -163.4(3) . .
Zn1 P2 C1 P1 72.07(11) . .
C2A N1 C2 C3 4(4) . .
P2 N1 C2 C3 0.0(13) . .
Zn1 N1 C2 C3 167.6(5) . .
C2A N1 C2 C7 -175(6) . .
P2 N1 C2 C7 -178.9(5) . .
Zn1 N1 C2 C7 -11.3(10) . .
C7 C2 C3 C4 1.0(4) . .
N1 C2 C3 C4 -177.9(11) . .
C2 C3 C4 C5 0.2(4) . .
C3 C4 C5 C6 -0.9(8) . .
C4 C5 C6 C7 0.2(10) . .
C5 C6 C7 C2 1.1(9) . .
C3 C2 C7 C6 -1.7(7) . .
N1 C2 C7 C6 177.3(12) . .
P2 N1 C2A C3A -2.6(13) . .
Zn1 N1 C2A C3A 161.4(6) . .
C2 N1 C2A C7A 5(5) . .
P2 N1 C2A C7A -178.1(4) . .
Zn1 N1 C2A C7A -14.1(11) . .
N1 C2A C3A C4A -175.2(13) . .
C7A C2A C3A C4A 0.1(3) . .
C2A C3A C4A C5A 0.1(3) . .
C3A C4A C5A C6A -0.4(6) . .
C4A C5A C6A C7A 0.5(8) . .
C5A C6A C7A C2A -0.3(8) . .
N1 C2A C7A C6A 176.1(11) . .
C3A C2A C7A C6A 0.0(6) . .
P1 N2 C8 C13 7.8(3) . .
Zn1 N2 C8 C13 -140.48(18) . .
P1 N2 C8 C9 -173.06(16) . .
Zn1 N2 C8 C9 38.7(2) . .
C13 C8 C9 C10 -1.0(3) . .
N2 C8 C9 C10 179.8(2) . .
C8 C9 C10 C11 -0.3(4) . .
C9 C10 C11 C12 1.0(4) . .
C10 C11 C12 C13 -0.5(5) . .
C11 C12 C13 C8 -0.7(4) . .
N2 C8 C13 C12 -179.4(2) . .
C9 C8 C13 C12 1.5(3) . .
N2 P1 C14 C15 -50.7(5) . .
C1 P1 C14 C15 63.5(5) . .
C20 P1 C14 C15 -172.6(5) . .
Zn1 P1 C14 C15 -3.5(5) . .
N2 P1 C14 C19 127.5(4) . .
C1 P1 C14 C19 -118.3(4) . .
C20 P1 C14 C19 5.6(4) . .
Zn1 P1 C14 C19 174.7(4) . .
C19 C14 C15 C16 -0.7(4) . .
P1 C14 C15 C16 177.6(3) . .
C14 C15 C16 C17 -0.3(5) . .
C15 C16 C17 C18 0.6(9) . .
C16 C17 C18 C19 0.2(11) . .
C17 C18 C19 C14 -1.2(10) . .
C15 C14 C19 C18 1.5(8) . .
P1 C14 C19 C18 -176.7(5) . .
C15A C16A C17A C18A 0.9(10) . .
C16A C17A C18A C19A -2.1(13) . .
N2 P1 C20 C21 5.89(18) . .
C1 P1 C20 C21 -112.14(16) . .
C14 P1 C20 C21 129.42(16) . .
Zn1 P1 C20 C21 -32.7(2) . .
N2 P1 C20 C25 -178.56(16) . .
C1 P1 C20 C25 63.41(19) . .
C14 P1 C20 C25 -55.02(18) . .
Zn1 P1 C20 C25 142.84(14) . .
C25 C20 C21 C22 1.7(3) . .
P1 C20 C21 C22 177.40(15) . .
C20 C21 C22 C23 0.5(3) . .
C21 C22 C23 C24 -1.7(3) . .
C22 C23 C24 C25 0.6(4) . .
C23 C24 C25 C20 1.8(4) . .
C21 C20 C25 C24 -2.9(3) . .
P1 C20 C25 C24 -178.53(18) . .
N1 P2 C26 C27 2.82(19) . .
C1 P2 C26 C27 122.70(17) . .
C32 P2 C26 C27 -115.0(3) . .
C32A P2 C26 C27 -126.2(3) . .
Zn1 P2 C26 C27 49.52(19) . .
N1 P2 C26 C31 -171.30(15) . .
C1 P2 C26 C31 -51.43(18) . .
C32 P2 C26 C31 70.8(3) . .
C32A P2 C26 C31 59.7(3) . .
Zn1 P2 C26 C31 -124.61(14) . .
C31 C26 C27 C28 -1.0(3) . .
P2 C26 C27 C28 -175.12(16) . .
C26 C27 C28 C29 1.1(3) . .
C27 C28 C29 C30 -0.6(3) . .
C28 C29 C30 C31 0.1(3) . .
C29 C30 C31 C26 -0.1(3) . .
C27 C26 C31 C30 0.5(3) . .
P2 C26 C31 C30 174.74(16) . .
N1 P2 C32 C33 -116.0(4) . .
C1 P2 C32 C33 128.0(4) . .
C26 P2 C32 C33 4.6(5) . .
C32A P2 C32 C33 77(3) . .
Zn1 P2 C32 C33 -161.2(3) . .
N1 P2 C32 C37 64.2(5) . .
C1 P2 C32 C37 -51.8(5) . .
C26 P2 C32 C37 -175.2(4) . .
C32A P2 C32 C37 -102(4) . .
Zn1 P2 C32 C37 19.0(6) . .
C37 C32 C33 C34 0.5(4) . .
P2 C32 C33 C34 -179.3(5) . .
C32 C33 C34 C35 0.0(4) . .
C33 C34 C35 C36 -0.1(8) . .
C34 C35 C36 C37 -0.3(10) . .
C35 C36 C37 C32 0.7(11) . .
C33 C32 C37 C36 -0.8(9) . .
P2 C32 C37 C36 178.9(6) . .
N1 P2 C32A C37A 58.8(6) . .
C1 P2 C32A C37A -58.6(5) . .
C32 P2 C32A C37A 73(3) . .
C26 P2 C32A C37A -176.2(4) . .
Zn1 P2 C32A C37A 8.0(6) . .
N1 P2 C32A C33A -114.9(4) . .
C1 P2 C32A C33A 127.7(4) . .
C32 P2 C32A C33A -100(4) . .
C26 P2 C32A C33A 10.2(4) . .
Zn1 P2 C32A C33A -165.6(3) . .
C37A C32A C33A C34A 0.8(4) . .
P2 C32A C33A C34A 174.2(5) . .
C32A C33A C34A C35A 0.5(4) . .
C33A C34A C35A C36A -1.1(7) . .
C34A C35A C36A C37A 0.4(9) . .
C33A C32A C37A C36A -1.4(9) . .
P2 C32A C37A C36A -175.4(6) . .
C35A C36A C37A C32A 0.8(10) . .
C6S C1S C2S C3S 0.7 . .
C1S C2S C3S C4S -0.7 . .
C2S C3S C4S C5S -0.2 . .
C3S C4S C5S C6S 0.9 . .
C4S C5S C6S C1S -0.8 . .
C2S C1S C6S C5S 0.0 . .
C6X C1X C2X C3X 0.4 . .
C1X C2X C3X C4X -0.7 . .
C2X C3X C4X C5X 0.8 . .
C3X C4X C5X C6X -0.6 . .
C2X C1X C6X C5X -0.2 . .
C4X C5X C6X C1X 0.3 . .
C6T C1T C2T C5T -172(7) . 7_566
C7T C1T C2T C5T 8(7) . 7_566
C6T C1T C2T C5T -171(7) 7_566 7_566
C3T C1T C2T C5T -171(8) 7_566 7_566
C5T C1T C2T C6T 171(7) 7_566 7_566
C6T C1T C2T C6T -0.7(8) . 7_566
C7T C1T C2T C6T 179.0(8) . 7_566
C3T C1T C2T C6T 0.3(17) 7_566 7_566
C5T C1T C2T C3T 172(7) 7_566 .
C6T C1T C2T C3T 0.2 . .
C7T C1T C2T C3T 179.9 . .
C6T C1T C2T C3T 0.9(8) 7_566 .
C3T C1T C2T C3T 1.1(17) 7_566 .
C5T C2T C3T C6T 0.2(9) 7_566 7_566
C1T C2T C3T C6T -1.3(12) . 7_566
C5T C2T C3T C4T 1.3(13) 7_566 .
C6T C2T C3T C4T 1.1(12) 7_566 .
C1T C2T C3T C4T -0.2 . .
C5T C2T C3T C1T 0.9(10) 7_566 7_566
C6T C2T C3T C1T 0.7(9) 7_566 7_566
C1T C2T C3T C1T -0.6(5) . 7_566
C6T C3T C4T C1T 0.0(7) 7_566 7_566
C2T C3T C4T C1T -0.9(12) . 7_566
C6T C3T C4T C7T -178(5) 7_566 7_566
C2T C3T C4T C7T -179(4) . 7_566
C1T C3T C4T C7T -178(5) 7_566 7_566
C2T C3T C4T C6T -0.9(10) . 7_566
C1T C3T C4T C6T 0.0(7) 7_566 7_566
C6T C3T C4T C5T 1.3(10) 7_566 .
C2T C3T C4T C5T 0.4 . .
C1T C3T C4T C5T 1.3(12) 7_566 .
C7T C4T C5T C1T 172(8) 7_566 7_566
C6T C4T C5T C1T -7(6) 7_566 7_566
C3T C4T C5T C1T -8(7) . 7_566
C1T C4T C5T C6T 7(7) 7_566 .
C7T C4T C5T C6T 179.1(15) 7_566 .
C6T C4T C5T C6T 0.3(7) 7_566 .
C3T C4T C5T C6T -0.5 . .
C1T C4T C5T C7T -172(8) 7_566 7_566
C6T C4T C5T C7T -179(2) 7_566 7_566
C3T C4T C5T C7T -179.6(15) . 7_566
C1T C4T C5T C6T 7(6) 7_566 7_566
C7T C4T C5T C6T 179(2) 7_566 7_566
C3T C4T C5T C6T -0.8(7) . 7_566
C5T C1T C6T C3T 176(4) 7_566 7_566
C4T C1T C6T C3T 0.0(10) 7_566 7_566
C2T C1T C6T C3T 179(2) . 7_566
C7T C1T C6T C3T -1(2) . 7_566
C6T C1T C6T C3T 178(2) 7_566 7_566
C5T C1T C6T C2T -1(5) 7_566 7_566
C4T C1T C6T C2T -177(6) 7_566 7_566
C2T C1T C6T C2T 2(5) . 7_566
C7T C1T C6T C2T -178(5) . 7_566
C6T C1T C6T C2T 2(5) 7_566 7_566
C3T C1T C6T C2T -177(7) 7_566 7_566
C5T C1T C6T C4T 176(4) 7_566 7_566
C2T C1T C6T C4T 178.9(16) . 7_566
C7T C1T C6T C4T -0.8(16) . 7_566
C6T C1T C6T C4T 178.4(19) 7_566 7_566
C3T C1T C6T C4T 0.0(10) 7_566 7_566
C5T C1T C6T C5T -4(3) 7_566 .
C4T C1T C6T C5T -179.2(16) 7_566 .
C2T C1T C6T C5T -0.3 . .
C7T C1T C6T C5T 180.0 . .
C6T C1T C6T C5T -0.8(6) 7_566 .
C3T C1T C6T C5T -179(2) 7_566 .
C5T C1T C6T C1T -3(2) 7_566 7_566
C4T C1T C6T C1T -178(2) 7_566 7_566
C2T C1T C6T C1T 0.5(6) . 7_566
C7T C1T C6T C1T -179.2(6) . 7_566
C6T C1T C6T C1T 0.0(4) 7_566 7_566
C3T C1T C6T C1T -178(3) 7_566 7_566
C4T C1T C6T C5T -176(4) 7_566 7_566
C2T C1T C6T C5T 3(3) . 7_566
C7T C1T C6T C5T -176(3) . 7_566
C6T C1T C6T C5T 3(2) 7_566 7_566
C3T C1T C6T C5T -176(4) 7_566 7_566
C5T C1T C6T C6T -3(2) 7_566 7_566
C4T C1T C6T C6T -178.4(19) 7_566 7_566
C2T C1T C6T C6T 0.5(6) . 7_566
C7T C1T C6T C6T -179.2(6) . 7_566
C3T C1T C6T C6T -178(2) 7_566 7_566
C1T C5T C6T C3T -176(4) 7_566 7_566
C2T C5T C6T C3T -0.2(9) 7_566 7_566
C4T C5T C6T C3T -179(3) . 7_566
C7T C5T C6T C3T -176(5) 7_566 7_566
C6T C5T C6T C3T -178(3) 7_566 7_566
C1T C5T C6T C2T -176(4) 7_566 7_566
C4T C5T C6T C2T -178(2) . 7_566
C7T C5T C6T C2T -176(6) 7_566 7_566
C6T C5T C6T C2T -178(3) 7_566 7_566
C1T C5T C6T C4T 1.2(17) 7_566 7_566
C2T C5T C6T C4T 178(5) 7_566 7_566
C4T C5T C6T C4T -1(3) . 7_566
C7T C5T C6T C4T 1(4) 7_566 7_566
C6T C5T C6T C4T -1(3) 7_566 7_566
C1T C5T C6T C1T 3(2) 7_566 .
C2T C5T C6T C1T 179(2) 7_566 .
C4T C5T C6T C1T 0.5 . .
C7T C5T C6T C1T 3(4) 7_566 .
C6T C5T C6T C1T 0.7(5) 7_566 .
C2T C5T C6T C1T 176(4) 7_566 7_566
C4T C5T C6T C1T -2(2) . 7_566
C7T C5T C6T C1T 0(3) 7_566 7_566
C6T C5T C6T C1T -1.8(16) 7_566 7_566
C1T C5T C6T C5T 1.8(17) 7_566 7_566
C2T C5T C6T C5T 178(3) 7_566 7_566
C4T C5T C6T C5T -0.2(6) . 7_566
C7T C5T C6T C5T 2(4) 7_566 7_566
C6T C5T C6T C5T 0.0(4) 7_566 7_566
C1T C5T C6T C6T 1.8(16) 7_566 7_566
C2T C5T C6T C6T 178(3) 7_566 7_566
C4T C5T C6T C6T -0.2(5) . 7_566
C7T C5T C6T C6T 2(3) 7_566 7_566
C5T C1T C7T C4T -177(4) 7_566 7_566
C6T C1T C7T C4T 0.9(19) . 7_566
C2T C1T C7T C4T -178.8(19) . 7_566
C6T C1T C7T C4T -177(3) 7_566 7_566
C3T C1T C7T C4T 0.5(11) 7_566 7_566
C4T C1T C7T C5T 177(4) 7_566 7_566
C6T C1T C7T C5T 177.5(19) . 7_566
C2T C1T C7T C5T -2.2(19) . 7_566
C6T C1T C7T C5T -0.2(13) 7_566 7_566
C3T C1T C7T C5T 177(3) 7_566 7_566
C6U C1U C2U C3U 0.1 . .
C7U C1U C2U C3U -179.9 . .
C1U C2U C3U C4U -0.1 . .
C2U C3U C4U C5U 0.3 . .
C3U C4U C5U C6U -0.4 . .
C4U C5U C6U C1U 0.4 . .
C2U C1U C6U C5U -0.2 . .
C7U C1U C6U C5U 179.8 . .
C6V C1V C2V C3V 0.0 . .
C7V C1V C2V C3V 179.6 . .
C1V C2V C3V C4V 0.1 . .
C2V C3V C4V C5V -0.4 . .
C3V C4V C5V C6V 0.6 . .
C4V C5V C6V C1V -0.5 . .
C2V C1V C6V C5V 0.2 . .
C7V C1V C6V C5V -179.4 . .
