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#$Date: 2025-04-05 06:02:13 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298901 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/77/7717715.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_7717715
loop_
_publ_author_name
'Boomishankar, Ramamoorthy'
'Richards, Philip I.'
'Steiner, Alexander'
_publ_section_title
;
 Tipping the balance between twist and chair ligand
 conformers in multinuclear ethylzinc cyclophosphazenates.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2628
_journal_page_last               2633
_journal_paper_doi               10.1039/d4dt03004d
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C36 H96 N18 P6 Zn12'
_chemical_formula_sum            'C36 H96 N18 P6 Zn12'
_chemical_formula_weight         1751.56
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2024-09-12 deposited with the CCDC.	2024-12-09 downloaded from the CCDC.
;
_cell_angle_alpha                91.175(4)
_cell_angle_beta                 99.758(4)
_cell_angle_gamma                118.034(4)
_cell_formula_units_Z            2
_cell_length_a                   11.922(3)
_cell_length_b                   12.490(3)
_cell_length_c                   25.336(7)
_cell_measurement_reflns_used    3503
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      47.832
_cell_measurement_theta_min      4.578
_cell_volume                     3260.0(15)
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker Smart Apex'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_unetI/netI     0.1019
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            15773
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        24.406
_diffrn_reflns_theta_max         24.406
_diffrn_reflns_theta_min         1.642
_diffrn_source                   sealed-tube
_exptl_absorpt_coefficient_mu    4.516
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.524
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.784
_exptl_crystal_description       prism
_exptl_crystal_F_000             1776
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: hexane'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.258
_refine_diff_density_min         -1.309
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         10536
_refine_ls_number_restraints     1200
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.1312
_refine_ls_R_factor_gt           0.0687
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0985P)²+2.5152P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1782
_refine_ls_wR_factor_ref         0.2103
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5851
_reflns_number_total             10536
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt03004d2.cif
_cod_data_source_block           phil235m
_cod_depositor_comments
'Adding full bibliography for 7717713--7717716.cif.'
_cod_original_cell_volume        3259.9(15)
_cod_database_code               7717715
_shelx_shelxl_version_number     2018/1
_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, -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_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
Zn1 Zn 0.65175(14) 0.68397(12) 0.21918(5) 0.0588(4) Uani 1 1 d . U . . .
C1 C 0.5404(15) 0.7430(13) 0.1757(5) 0.095(4) Uani 1 1 d . U . . .
H1A H 0.547551 0.737446 0.137486 0.114 Uiso 1 1 calc R U . . .
H1B H 0.448732 0.688686 0.177748 0.114 Uiso 1 1 calc R U . . .
C2 C 0.576(2) 0.8708(16) 0.1940(8) 0.160(8) Uani 1 1 d . U . . .
H2A H 0.517898 0.894537 0.171183 0.240 Uiso 1 1 calc R U . . .
H2B H 0.566812 0.876628 0.231514 0.240 Uiso 1 1 calc R U . . .
H2C H 0.665695 0.925419 0.191226 0.240 Uiso 1 1 calc R U . . .
Zn2 Zn 0.53643(14) 0.24510(13) 0.16070(6) 0.0726(5) Uani 1 1 d . U . . .
C3 C 0.4345(17) 0.1086(15) 0.1050(7) 0.132(6) Uani 1 1 d . U . . .
H3A H 0.488600 0.116590 0.078147 0.159 Uiso 1 1 calc R U . . .
H3B H 0.419384 0.033332 0.121745 0.159 Uiso 1 1 calc R U . . .
C4 C 0.313(2) 0.0903(17) 0.0765(8) 0.163(9) Uani 1 1 d . U . . .
H4A H 0.273801 0.017988 0.049900 0.244 Uiso 1 1 calc R U . . .
H4B H 0.255354 0.078275 0.101852 0.244 Uiso 1 1 calc R U . . .
H4C H 0.324968 0.162012 0.058004 0.244 Uiso 1 1 calc R U . . .
Zn3 Zn 1.07744(12) 0.55364(14) 0.27871(5) 0.0600(4) Uani 1 1 d . U . . .
C5 C 1.2659(13) 0.6219(16) 0.2831(6) 0.107(5) Uani 1 1 d D U . . .
H5A H 1.290011 0.560120 0.296619 0.128 Uiso 1 1 calc R U . A 1
H5B H 1.281451 0.630942 0.245887 0.128 Uiso 1 1 calc R U . A 1
C6 C 1.352(3) 0.734(3) 0.3147(16) 0.136(9) Uani 0.54(3) 1 d D U P B 1
H6A H 1.441675 0.754735 0.312650 0.204 Uiso 0.54(3) 1 calc R U P B 1
H6B H 1.333641 0.797731 0.301234 0.204 Uiso 0.54(3) 1 calc R U P B 1
H6C H 1.342250 0.726506 0.352256 0.204 Uiso 0.54(3) 1 calc R U P B 1
C6' C 1.313(4) 0.749(2) 0.277(2) 0.136(9) Uani 0.46(3) 1 d D U P B 2
H6'1 H 1.406718 0.788665 0.278957 0.204 Uiso 0.46(3) 1 calc R U P B 2
H6'2 H 1.269496 0.757220 0.242240 0.204 Uiso 0.46(3) 1 calc R U P B 2
H6'3 H 1.294404 0.787306 0.306182 0.204 Uiso 0.46(3) 1 calc R U P B 2
Zn4 Zn 0.90338(16) 0.58824(14) 0.08602(5) 0.0672(4) Uani 1 1 d . U . . .
C7 C 0.9523(16) 0.6172(14) 0.0145(5) 0.090(4) Uani 1 1 d . U . . .
H7A H 1.044120 0.636636 0.018208 0.108 Uiso 1 1 calc R U . . .
H7B H 0.898492 0.541196 -0.010576 0.108 Uiso 1 1 calc R U . . .
C8 C 0.9354(15) 0.7208(13) -0.0101(5) 0.093(4) Uani 1 1 d . U . . .
H8A H 0.961022 0.730488 -0.045160 0.140 Uiso 1 1 calc R U . . .
H8B H 0.844278 0.701446 -0.014781 0.140 Uiso 1 1 calc R U . . .
H8C H 0.990029 0.796967 0.014027 0.140 Uiso 1 1 calc R U . . .
Zn5 Zn 0.79402(18) 0.73142(14) 0.10768(6) 0.0804(5) Uani 1 1 d . U . . .
C9 C 0.774(2) 0.8661(15) 0.0797(8) 0.139(6) Uani 1 1 d . U . . .
H9A H 0.721999 0.838188 0.042475 0.167 Uiso 1 1 calc R U . . .
H9B H 0.722556 0.884958 0.101599 0.167 Uiso 1 1 calc R U . . .
C10 C 0.886(2) 0.9733(16) 0.0788(9) 0.183(10) Uani 1 1 d . U . . .
H10A H 0.863889 1.034193 0.063915 0.275 Uiso 1 1 calc R U . . .
H10B H 0.937682 1.004265 0.115497 0.275 Uiso 1 1 calc R U . . .
H10C H 0.937123 0.957323 0.056156 0.275 Uiso 1 1 calc R U . . .
Zn6 Zn 0.80580(18) 0.31611(16) 0.06972(6) 0.0859(5) Uani 1 1 d . U . . .
C11 C 0.6945(17) 0.1847(15) 0.0130(6) 0.113(5) Uani 1 1 d . U . . .
H11A H 0.741942 0.140526 0.005857 0.136 Uiso 1 1 calc R U . . .
H11B H 0.617834 0.126985 0.026871 0.136 Uiso 1 1 calc R U . . .
C12 C 0.647(2) 0.2158(19) -0.0399(6) 0.163(9) Uani 1 1 d . U . . .
H12A H 0.591585 0.140823 -0.064635 0.245 Uiso 1 1 calc R U . . .
H12B H 0.595971 0.256692 -0.034202 0.245 Uiso 1 1 calc R U . . .
H12C H 0.720674 0.270298 -0.055316 0.245 Uiso 1 1 calc R U . . .
Zn7 Zn 0.99860(14) 0.73991(13) 0.32939(5) 0.0644(4) Uani 1 1 d . U . . .
C13 C 1.149(3) 0.8239(18) 0.3937(11) 0.090(7) Uani 0.68(3) 1 d D U P C 1
H13A H 1.114107 0.818838 0.426939 0.108 Uiso 0.68(3) 1 calc R U P C 1
H13B H 1.200674 0.780461 0.397514 0.108 Uiso 0.68(3) 1 calc R U P C 1
C14 C 1.232(3) 0.9503(18) 0.3884(12) 0.119(9) Uani 0.68(3) 1 d D U P C 1
H14A H 1.303038 0.986960 0.420122 0.178 Uiso 0.68(3) 1 calc R U P C 1
H14B H 1.268482 0.955724 0.355952 0.178 Uiso 0.68(3) 1 calc R U P C 1
H14C H 1.181926 0.994096 0.385373 0.178 Uiso 0.68(3) 1 calc R U P C 1
C13' C 1.133(5) 0.871(6) 0.387(3) 0.090(7) Uani 0.32(3) 1 d D U P C 2
H13C H 1.130222 0.947671 0.380504 0.108 Uiso 0.32(3) 1 calc R U P C 2
H13D H 1.107302 0.848909 0.422007 0.108 Uiso 0.32(3) 1 calc R U P C 2
C14' C 1.266(4) 0.897(6) 0.393(3) 0.119(9) Uani 0.32(3) 1 d D U P C 2
H14D H 1.320116 0.962845 0.422357 0.178 Uiso 0.32(3) 1 calc R U P C 2
H14E H 1.272457 0.823834 0.400953 0.178 Uiso 0.32(3) 1 calc R U P C 2
H14F H 1.295491 0.923087 0.359244 0.178 Uiso 0.32(3) 1 calc R U P C 2
Zn8 Zn 0.87891(12) 0.29144(11) 0.29025(5) 0.0524(4) Uani 1 1 d . U . . .
C15 C 0.9119(13) 0.1639(13) 0.3207(6) 0.084(4) Uani 1 1 d . U . . .
H15A H 0.879380 0.148354 0.354716 0.101 Uiso 1 1 calc R U . . .
H15B H 0.859237 0.088091 0.295484 0.101 Uiso 1 1 calc R U . . .
C16 C 1.0456(15) 0.1856(16) 0.3322(7) 0.121(6) Uani 1 1 d . U . . .
H16A H 1.048181 0.114911 0.347228 0.181 Uiso 1 1 calc R U . . .
H16B H 1.079087 0.197975 0.298840 0.181 Uiso 1 1 calc R U . . .
H16C H 1.099321 0.258511 0.358341 0.181 Uiso 1 1 calc R U . . .
Zn9 Zn 0.44726(13) 0.39327(14) 0.21822(6) 0.0676(4) Uani 1 1 d . U . . .
C17 C 0.2620(12) 0.3321(14) 0.2151(6) 0.097(4) Uani 1 1 d . U . . .
H17A H 0.245304 0.328543 0.252173 0.116 Uiso 1 1 calc R U . . .
H17B H 0.235157 0.388915 0.197591 0.116 Uiso 1 1 calc R U . . .
C18 C 0.1818(16) 0.2050(17) 0.1835(8) 0.146(7) Uani 1 1 d . U . . .
H18A H 0.089480 0.176230 0.182490 0.219 Uiso 1 1 calc R U . . .
H18B H 0.197289 0.208750 0.146656 0.219 Uiso 1 1 calc R U . . .
H18C H 0.207422 0.148453 0.201170 0.219 Uiso 1 1 calc R U . . .
Zn10 Zn 0.63134(16) 0.39784(17) 0.41422(6) 0.0818(5) Uani 1 1 d . . . . .
C19 C 0.5789(18) 0.3614(17) 0.4870(7) 0.126(6) Uani 1 1 d . U . . .
H19A H 0.649384 0.425463 0.514510 0.152 Uiso 1 1 calc R U . . .
H19B H 0.501054 0.371472 0.486014 0.152 Uiso 1 1 calc R U . . .
C20 C 0.552(2) 0.2498(19) 0.5053(8) 0.163(8) Uani 1 1 d . U . . .
H20A H 0.528457 0.247646 0.540625 0.245 Uiso 1 1 calc R U . . .
H20B H 0.479345 0.184166 0.479703 0.245 Uiso 1 1 calc R U . . .
H20C H 0.628602 0.238495 0.508378 0.245 Uiso 1 1 calc R U . . .
Zn11 Zn 0.84064(17) 0.62395(17) 0.43455(5) 0.0823(5) Uani 1 1 d . U . . .
C21 C 0.9100(17) 0.7537(17) 0.4921(6) 0.119(5) Uani 1 1 d D U . . .
H21A H 0.955167 0.731708 0.522892 0.142 Uiso 1 1 calc R U . D 1
H21B H 0.976747 0.827583 0.480085 0.142 Uiso 1 1 calc R U . D 1
C22 C 0.824(3) 0.787(4) 0.5118(14) 0.144(10) Uani 0.67(4) 1 d D U P E 1
H22A H 0.872714 0.853783 0.540958 0.216 Uiso 0.67(4) 1 calc R U P E 1
H22B H 0.780094 0.812301 0.482449 0.216 Uiso 0.67(4) 1 calc R U P E 1
H22C H 0.758402 0.715928 0.525478 0.216 Uiso 0.67(4) 1 calc R U P E 1
C22' C 0.885(8) 0.855(5) 0.488(3) 0.144(10) Uani 0.33(4) 1 d D U P E 2
H22D H 0.928956 0.911010 0.521509 0.216 Uiso 0.33(4) 1 calc R U P E 2
H22E H 0.918269 0.897690 0.457647 0.216 Uiso 0.33(4) 1 calc R U P E 2
H22F H 0.791592 0.825337 0.482595 0.216 Uiso 0.33(4) 1 calc R U P E 2
Zn12 Zn 0.58029(17) 0.14554(16) 0.37126(7) 0.0938(6) Uani 1 1 d . U . . .
C23 C 0.6114(17) 0.0128(13) 0.3949(7) 0.118(6) Uani 1 1 d . U . . .
H23A H 0.525437 -0.058927 0.393863 0.141 Uiso 1 1 calc R U . . .
H23B H 0.649967 -0.008007 0.367406 0.141 Uiso 1 1 calc R U . . .
C24 C 0.692(2) 0.0256(17) 0.4475(8) 0.180(10) Uani 1 1 d . U . . .
H24A H 0.696573 -0.050181 0.452245 0.270 Uiso 1 1 calc R U . . .
H24B H 0.779911 0.093352 0.449428 0.270 Uiso 1 1 calc R U . . .
H24C H 0.654498 0.042071 0.476072 0.270 Uiso 1 1 calc R U . . .
P11 P 0.6696(3) 0.4947(3) 0.14386(10) 0.0505(8) Uani 1 1 d . U . . .
P12 P 0.8655(3) 0.4299(2) 0.18220(9) 0.0430(7) Uani 1 1 d . U . . .
P13 P 0.9169(3) 0.6725(2) 0.20395(10) 0.0466(7) Uani 1 1 d . U . . .
N11 N 0.7578(8) 0.6205(7) 0.1844(3) 0.0443(19) Uani 1 1 d . U . . .
N12 N 0.9410(8) 0.5576(7) 0.2210(3) 0.0397(18) Uani 1 1 d . U . . .
N13 N 0.7150(8) 0.3933(7) 0.1601(3) 0.051(2) Uani 1 1 d . U . . .
N14 N 0.5181(9) 0.4268(8) 0.1485(3) 0.061(2) Uani 1 1 d . U . . .
C140 C 0.4206(13) 0.4434(13) 0.1082(5) 0.095(5) Uani 1 1 d . U . . .
H14G H 0.353380 0.442752 0.125973 0.143 Uiso 1 1 calc R U . . .
H14H H 0.380607 0.376771 0.078712 0.143 Uiso 1 1 calc R U . . .
H14I H 0.464447 0.521636 0.093798 0.143 Uiso 1 1 calc R U . . .
N15 N 0.7025(10) 0.5439(9) 0.0859(3) 0.067(3) Uani 1 1 d . U . . .
C150 C 0.6248(15) 0.4558(13) 0.0354(4) 0.099(5) Uani 1 1 d . U . . .
H15C H 0.672857 0.482221 0.006176 0.149 Uiso 1 1 calc R U . . .
H15D H 0.541081 0.454455 0.024914 0.149 Uiso 1 1 calc R U . . .
H15E H 0.610130 0.373799 0.042290 0.149 Uiso 1 1 calc R U . . .
N16 N 0.8917(8) 0.3319(7) 0.2142(3) 0.048(2) Uani 1 1 d . U . . .
C160 C 0.8628(15) 0.2187(11) 0.1816(5) 0.088(5) Uani 1 1 d . U . . .
H16D H 0.883675 0.166399 0.205010 0.133 Uiso 1 1 calc R U . . .
H16E H 0.915060 0.239732 0.153691 0.133 Uiso 1 1 calc R U . . .
H16F H 0.770447 0.175238 0.164544 0.133 Uiso 1 1 calc R U . . .
N17 N 0.9220(9) 0.4457(8) 0.1240(3) 0.052(2) Uani 1 1 d . U . . .
C170 C 1.0666(12) 0.4857(12) 0.1330(4) 0.073(4) Uani 1 1 d . U . . .
H17C H 1.095634 0.502949 0.098744 0.110 Uiso 1 1 calc R U . . .
H17D H 1.081987 0.420308 0.147202 0.110 Uiso 1 1 calc R U . . .
H17E H 1.115000 0.559485 0.158938 0.110 Uiso 1 1 calc R U . . .
N18 N 0.9832(9) 0.7745(8) 0.2546(3) 0.059(2) Uani 1 1 d . U . . .
C180 C 0.9964(15) 0.8974(10) 0.2475(6) 0.091(5) Uani 1 1 d . U . . .
H18D H 1.083894 0.960083 0.265138 0.136 Uiso 1 1 calc R U . . .
H18E H 0.932187 0.906926 0.263697 0.136 Uiso 1 1 calc R U . . .
H18F H 0.982011 0.906136 0.208951 0.136 Uiso 1 1 calc R U . . .
N19 N 0.9660(10) 0.7253(8) 0.1480(3) 0.059(2) Uani 1 1 d . U . . .
C190 C 1.1074(13) 0.8125(12) 0.1527(5) 0.087(4) Uani 1 1 d . U . . .
H19C H 1.129921 0.815315 0.117141 0.130 Uiso 1 1 calc R U . . .
H19D H 1.158851 0.785127 0.177422 0.130 Uiso 1 1 calc R U . . .
H19E H 1.125956 0.894108 0.166708 0.130 Uiso 1 1 calc R U . . .
P21 P 0.8575(3) 0.4659(3) 0.35329(10) 0.0478(7) Uani 1 1 d . U . . .
P22 P 0.6024(3) 0.3201(3) 0.29240(12) 0.0534(8) Uani 1 1 d . U . . .
P23 P 0.6901(3) 0.5685(3) 0.32354(11) 0.0511(7) Uani 1 1 d . U . . .
N21 N 0.8382(8) 0.5839(8) 0.3386(3) 0.048(2) Uani 1 1 d . U . . .
N22 N 0.5986(8) 0.4455(8) 0.2805(3) 0.051(2) Uani 1 1 d . U . . .
N23 N 0.7498(8) 0.3416(7) 0.3134(3) 0.0448(19) Uani 1 1 d . U . . .
N24 N 0.9949(8) 0.4805(8) 0.3428(3) 0.051(2) Uani 1 1 d . U . . .
C240 C 1.1023(11) 0.5078(12) 0.3901(4) 0.067(3) Uani 1 1 d . U . . .
H24D H 1.184935 0.540363 0.377934 0.101 Uiso 1 1 calc R U . . .
H24E H 1.085753 0.432605 0.406366 0.101 Uiso 1 1 calc R U . . .
H24F H 1.106661 0.568168 0.416764 0.101 Uiso 1 1 calc R U . . .
N25 N 0.8364(9) 0.4567(10) 0.4151(3) 0.065(3) Uani 1 1 d . U . . .
C250 C 0.8640(13) 0.3700(13) 0.4483(4) 0.082(4) Uani 1 1 d . U . . .
H25A H 0.808727 0.344362 0.475133 0.123 Uiso 1 1 calc R U . . .
H25B H 0.955410 0.411030 0.466741 0.123 Uiso 1 1 calc R U . . .
H25C H 0.845904 0.298197 0.424737 0.123 Uiso 1 1 calc R U . . .
N26 N 0.5193(9) 0.2269(8) 0.2391(4) 0.067(2) Uani 1 1 d . U . . .
C260 C 0.4662(14) 0.0956(11) 0.2457(6) 0.102(5) Uani 1 1 d . U . . .
H26A H 0.385807 0.048188 0.218891 0.154 Uiso 1 1 calc R U . . .
H26B H 0.447934 0.082273 0.282005 0.154 Uiso 1 1 calc R U . . .
H26C H 0.529646 0.069377 0.240621 0.154 Uiso 1 1 calc R U . . .
N27 N 0.5352(9) 0.2665(10) 0.3477(5) 0.081(3) Uani 1 1 d . U . . .
C270 C 0.3928(12) 0.2366(14) 0.3394(7) 0.111(6) Uani 1 1 d . U . . .
H27A H 0.360728 0.210756 0.372516 0.167 Uiso 1 1 calc R U . . .
H27B H 0.341122 0.170631 0.309813 0.167 Uiso 1 1 calc R U . . .
H27C H 0.385539 0.309346 0.330398 0.167 Uiso 1 1 calc R U . . .
N28 N 0.6871(10) 0.6801(9) 0.2971(3) 0.062(2) Uani 1 1 d . U . . .
C280 C 0.7391(14) 0.7990(11) 0.3309(5) 0.084(4) Uani 1 1 d . U . . .
H28A H 0.691025 0.841304 0.316564 0.126 Uiso 1 1 calc R U . . .
H28B H 0.831223 0.849743 0.330161 0.126 Uiso 1 1 calc R U . . .
H28C H 0.729297 0.784198 0.368054 0.126 Uiso 1 1 calc R U . . .
N29 N 0.6511(9) 0.5549(10) 0.3835(3) 0.068(3) Uani 1 1 d . U . . .
C290 C 0.5380(14) 0.5721(15) 0.3901(5) 0.099(5) Uani 1 1 d . U . . .
H29A H 0.499270 0.526460 0.419101 0.149 Uiso 1 1 calc R U . . .
H29B H 0.473081 0.541940 0.356383 0.149 Uiso 1 1 calc R U . . .
H29C H 0.567487 0.659034 0.399310 0.149 Uiso 1 1 calc R U . . .
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
_geom_angle_publ_flag
N28 Zn1 C1 129.0(5) . . ?
N28 Zn1 N11 108.9(3) . . ?
C1 Zn1 N11 122.0(5) . . ?
C2 C1 Zn1 113.2(11) . . ?
C2 C1 H1A 108.9 . . ?
Zn1 C1 H1A 108.9 . . ?
C2 C1 H1B 108.9 . . ?
Zn1 C1 H1B 108.9 . . ?
H1A C1 H1B 107.7 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C3 Zn2 N26 121.1(7) . . ?
C3 Zn2 N13 126.9(6) . . ?
N26 Zn2 N13 107.6(3) . . ?
C3 Zn2 N14 117.0(6) . . ?
N26 Zn2 N14 100.9(3) . . ?
N13 Zn2 N14 68.9(3) . . ?
C3 Zn2 P11 125.9(6) . . ?
N26 Zn2 P11 111.2(3) . . ?
N13 Zn2 P11 34.5(2) . . ?
N14 Zn2 P11 34.8(2) . . ?
C3 Zn2 Zn9 128.0(6) . . ?
N26 Zn2 Zn9 59.5(2) . . ?
N13 Zn2 Zn9 93.4(2) . . ?
N14 Zn2 Zn9 43.0(2) . . ?
P11 Zn2 Zn9 68.65(7) . . ?
C4 C3 Zn2 119.6(14) . . ?
C4 C3 H3A 107.4 . . ?
Zn2 C3 H3A 107.4 . . ?
C4 C3 H3B 107.4 . . ?
Zn2 C3 H3B 107.4 . . ?
H3A C3 H3B 107.0 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C5 Zn3 N12 130.1(5) . . ?
C5 Zn3 N24 120.9(5) . . ?
N12 Zn3 N24 108.6(3) . . ?
C5 Zn3 Zn8 128.1(5) . . ?
N12 Zn3 Zn8 88.1(2) . . ?
N24 Zn3 Zn8 49.5(2) . . ?
C6 C5 Zn3 119.5(18) . . ?
C6' C5 Zn3 105(2) . . ?
C6 C5 H5A 107.4 . . ?
Zn3 C5 H5A 107.4 . . ?
C6 C5 H5B 107.4 . . ?
Zn3 C5 H5B 107.4 . . ?
H5A C5 H5B 107.0 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C6' H6'1 109.5 . . ?
C5 C6' H6'2 109.5 . . ?
H6'1 C6' H6'2 109.5 . . ?
C5 C6' H6'3 109.5 . . ?
H6'1 C6' H6'3 109.5 . . ?
H6'2 C6' H6'3 109.5 . . ?
C7 Zn4 N19 123.5(5) . . ?
C7 Zn4 N17 116.9(4) . . ?
N19 Zn4 N17 104.3(3) . . ?
C7 Zn4 N15 114.3(5) . . ?
N19 Zn4 N15 89.5(4) . . ?
N17 Zn4 N15 103.6(3) . . ?
C7 Zn4 Zn5 108.9(4) . . ?
N19 Zn4 Zn5 51.0(3) . . ?
N17 Zn4 Zn5 133.7(2) . . ?
N15 Zn4 Zn5 48.1(3) . . ?
C7 Zn4 Zn6 94.5(4) . . ?
N19 Zn4 Zn6 139.3(2) . . ?
N17 Zn4 Zn6 38.4(2) . . ?
N15 Zn4 Zn6 86.8(3) . . ?
Zn5 Zn4 Zn6 134.35(8) . . ?
C8 C7 Zn4 113.5(9) . . ?
C8 C7 H7A 108.9 . . ?
Zn4 C7 H7A 108.9 . . ?
C8 C7 H7B 108.9 . . ?
Zn4 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C9 Zn5 N15 135.1(7) . . ?
C9 Zn5 N19 130.4(7) . . ?
N15 Zn5 N19 89.7(3) . . ?
C9 Zn5 N11 138.6(6) . . ?
N15 Zn5 N11 68.1(3) . . ?
N19 Zn5 N11 67.8(3) . . ?
C9 Zn5 Zn4 139.1(6) . . ?
N15 Zn5 Zn4 51.6(3) . . ?
N19 Zn5 Zn4 47.6(2) . . ?
N11 Zn5 Zn4 81.98(18) . . ?
C9 Zn5 P11 146.5(6) . . ?
N15 Zn5 P11 34.2(2) . . ?
N19 Zn5 P11 81.5(2) . . ?
N11 Zn5 P11 34.52(19) . . ?
Zn4 Zn5 P11 67.10(7) . . ?
C9 Zn5 P13 140.7(6) . . ?
N15 Zn5 P13 83.3(2) . . ?
N19 Zn5 P13 34.2(2) . . ?
N11 Zn5 P13 34.8(2) . . ?
Zn4 Zn5 P13 66.18(7) . . ?
P11 Zn5 P13 59.02(8) . . ?
C10 C9 Zn5 116.9(15) . . ?
C10 C9 H9A 108.1 . . ?
Zn5 C9 H9A 108.1 . . ?
C10 C9 H9B 108.1 . . ?
Zn5 C9 H9B 108.1 . . ?
H9A C9 H9B 107.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N17 Zn6 C11 177.2(6) . . ?
N17 Zn6 Zn4 44.2(2) . . ?
C11 Zn6 Zn4 136.1(5) . . ?
C12 C11 Zn6 118.4(12) . . ?
C12 C11 H11A 107.7 . . ?
Zn6 C11 H11A 107.7 . . ?
C12 C11 H11B 107.7 . . ?
Zn6 C11 H11B 107.7 . . ?
H11A C11 H11B 107.1 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N18 Zn7 C13' 120(2) . . ?
N18 Zn7 C13 130.7(7) . . ?
N18 Zn7 N21 110.5(3) . . ?
C13' Zn7 N21 128(2) . . ?
C13 Zn7 N21 118.6(7) . . ?
C14 C13 Zn7 112(2) . . ?
C14 C13 H13A 109.2 . . ?
Zn7 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
Zn7 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C14' C13' Zn7 119(5) . . ?
C14' C13' H13C 107.7 . . ?
Zn7 C13' H13C 107.7 . . ?
C14' C13' H13D 107.7 . . ?
Zn7 C13' H13D 107.7 . . ?
H13C C13' H13D 107.1 . . ?
C13' C14' H14D 109.5 . . ?
C13' C14' H14E 109.5 . . ?
H14D C14' H14E 109.5 . . ?
C13' C14' H14F 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?
C15 Zn8 N16 123.5(5) . . ?
C15 Zn8 N23 123.7(4) . . ?
N16 Zn8 N23 107.0(3) . . ?
C15 Zn8 N24 114.0(5) . . ?
N16 Zn8 N24 104.3(3) . . ?
N23 Zn8 N24 70.7(3) . . ?
C15 Zn8 P21 123.0(4) . . ?
N16 Zn8 P21 112.5(2) . . ?
N23 Zn8 P21 35.5(2) . . ?
N24 Zn8 P21 35.4(2) . . ?
C15 Zn8 Zn3 128.1(4) . . ?
N16 Zn8 Zn3 64.1(2) . . ?
N23 Zn8 Zn3 93.9(2) . . ?
N24 Zn8 Zn3 41.9(2) . . ?
P21 Zn8 Zn3 67.55(7) . . ?
C16 C15 Zn8 118.0(11) . . ?
C16 C15 H15A 107.8 . . ?
Zn8 C15 H15A 107.8 . . ?
C16 C15 H15B 107.8 . . ?
Zn8 C15 H15B 107.8 . . ?
H15A C15 H15B 107.1 . . ?
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 . . ?
C17 Zn9 N22 132.2(5) . . ?
C17 Zn9 N14 119.7(5) . . ?
N22 Zn9 N14 108.0(3) . . ?
C17 Zn9 P22 123.0(4) . . ?
N22 Zn9 P22 33.2(2) . . ?
N14 Zn9 P22 108.8(2) . . ?
C17 Zn9 Zn2 119.9(5) . . ?
N22 Zn9 Zn2 91.0(2) . . ?
N14 Zn9 Zn2 53.0(2) . . ?
P22 Zn9 Zn2 68.54(8) . . ?
C18 C17 Zn9 110.9(11) . . ?
C18 C17 H17A 109.5 . . ?
Zn9 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
Zn9 C17 H17B 109.5 . . ?
H17A C17 H17B 108.0 . . ?
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 . . ?
C19 Zn10 N29 120.0(5) . . ?
C19 Zn10 N27 120.4(6) . . ?
N29 Zn10 N27 103.3(4) . . ?
C19 Zn10 N25 114.8(6) . . ?
N29 Zn10 N25 90.0(4) . . ?
N27 Zn10 N25 103.1(3) . . ?
C19 Zn10 Zn11 104.3(6) . . ?
N29 Zn10 Zn11 51.7(3) . . ?
N27 Zn10 Zn11 135.1(3) . . ?
N25 Zn10 Zn11 49.6(3) . . ?
C19 Zn10 Zn12 99.8(5) . . ?
N29 Zn10 Zn12 137.5(3) . . ?
N27 Zn10 Zn12 37.8(2) . . ?
N25 Zn10 Zn12 85.9(3) . . ?
Zn11 Zn10 Zn12 135.14(7) . . ?
C20 C19 Zn10 120.2(15) . . ?
C20 C19 H19A 107.3 . . ?
Zn10 C19 H19A 107.3 . . ?
C20 C19 H19B 107.3 . . ?
Zn10 C19 H19B 107.3 . . ?
H19A C19 H19B 106.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C21 Zn11 N25 140.8(5) . . ?
C21 Zn11 N29 123.6(5) . . ?
N25 Zn11 N29 89.3(4) . . ?
C21 Zn11 N21 142.0(6) . . ?
N25 Zn11 N21 66.5(3) . . ?
N29 Zn11 N21 66.7(3) . . ?
C21 Zn11 Zn10 133.9(6) . . ?
N25 Zn11 Zn10 52.3(3) . . ?
N29 Zn11 Zn10 48.2(3) . . ?
N21 Zn11 Zn10 82.0(2) . . ?
C21 Zn11 P21 154.6(5) . . ?
N25 Zn11 P21 33.0(2) . . ?
N29 Zn11 P21 80.3(2) . . ?
N21 Zn11 P21 34.0(2) . . ?
Zn10 Zn11 P21 67.00(8) . . ?
C22' C21 Zn11 122(3) . . ?
C22 C21 Zn11 118.8(18) . . ?
C22 C21 H21A 107.6 . . ?
Zn11 C21 H21A 107.6 . . ?
C22 C21 H21B 107.6 . . ?
Zn11 C21 H21B 107.6 . . ?
H21A C21 H21B 107.0 . . ?
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 . . ?
C21 C22' H22D 109.5 . . ?
C21 C22' H22E 109.5 . . ?
H22D C22' H22E 109.5 . . ?
C21 C22' H22F 109.5 . . ?
H22D C22' H22F 109.5 . . ?
H22E C22' H22F 109.5 . . ?
N27 Zn12 C23 175.3(6) . . ?
N27 Zn12 Zn10 42.0(4) . . ?
C23 Zn12 Zn10 140.0(5) . . ?
C24 C23 Zn12 121.3(12) . . ?
C24 C23 H23A 107.0 . . ?
Zn12 C23 H23A 107.0 . . ?
C24 C23 H23B 107.0 . . ?
Zn12 C23 H23B 107.0 . . ?
H23A C23 H23B 106.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N14 P11 N11 113.4(5) . . ?
N14 P11 N13 102.8(5) . . ?
N11 P11 N13 110.5(4) . . ?
N14 P11 N15 117.0(5) . . ?
N11 P11 N15 100.7(5) . . ?
N13 P11 N15 112.6(5) . . ?
N14 P11 Zn2 57.7(3) . . ?
N11 P11 Zn2 133.3(3) . . ?
N13 P11 Zn2 45.8(3) . . ?
N15 P11 Zn2 124.8(4) . . ?
N14 P11 Zn5 122.9(3) . . ?
N11 P11 Zn5 56.5(3) . . ?
N13 P11 Zn5 134.1(4) . . ?
N15 P11 Zn5 45.5(3) . . ?
Zn2 P11 Zn5 170.16(11) . . ?
N16 P12 N12 107.3(4) . . ?
N16 P12 N13 116.3(5) . . ?
N12 P12 N13 111.2(4) . . ?
N16 P12 N17 109.8(4) . . ?
N12 P12 N17 110.5(4) . . ?
N13 P12 N17 101.7(4) . . ?
N18 P13 N12 107.3(4) . . ?
N18 P13 N19 113.0(5) . . ?
N12 P13 N19 113.9(4) . . ?
N18 P13 N11 113.9(5) . . ?
N12 P13 N11 108.4(4) . . ?
N19 P13 N11 100.3(5) . . ?
N18 P13 Zn5 116.3(3) . . ?
N12 P13 Zn5 136.4(3) . . ?
N19 P13 Zn5 47.3(3) . . ?
N11 P13 Zn5 55.1(3) . . ?
P11 N11 P13 120.0(5) . . ?
P11 N11 Zn1 114.2(5) . . ?
P13 N11 Zn1 124.7(4) . . ?
P11 N11 Zn5 89.0(3) . . ?
P13 N11 Zn5 90.1(3) . . ?
Zn1 N11 Zn5 101.3(3) . . ?
P12 N12 P13 119.6(4) . . ?
P12 N12 Zn3 109.5(4) . . ?
P13 N12 Zn3 130.0(4) . . ?
P12 N13 P11 122.2(5) . . ?
P12 N13 Zn2 136.4(5) . . ?
P11 N13 Zn2 99.7(4) . . ?
C140 N14 P11 119.6(9) . . ?
C140 N14 Zn9 106.3(8) . . ?
P11 N14 Zn9 126.7(5) . . ?
C140 N14 Zn2 128.5(7) . . ?
P11 N14 Zn2 87.5(4) . . ?
Zn9 N14 Zn2 84.0(3) . . ?
N14 C140 H14G 109.5 . . ?
N14 C140 H14H 109.5 . . ?
H14G C140 H14H 109.5 . . ?
N14 C140 H14I 109.5 . . ?
H14G C140 H14I 109.5 . . ?
H14H C140 H14I 109.5 . . ?
C150 N15 P11 117.6(9) . . ?
C150 N15 Zn5 137.3(7) . . ?
P11 N15 Zn5 100.3(4) . . ?
C150 N15 Zn4 104.2(7) . . ?
P11 N15 Zn4 107.7(4) . . ?
Zn5 N15 Zn4 80.4(4) . . ?
N15 C150 H15C 109.5 . . ?
N15 C150 H15D 109.5 . . ?
H15C C150 H15D 109.5 . . ?
N15 C150 H15E 109.5 . . ?
H15C C150 H15E 109.5 . . ?
H15D C150 H15E 109.5 . . ?
C160 N16 P12 116.5(7) . . ?
C160 N16 Zn8 106.9(6) . . ?
P12 N16 Zn8 130.4(4) . . ?
N16 C160 H16D 109.5 . . ?
N16 C160 H16E 109.5 . . ?
H16D C160 H16E 109.5 . . ?
N16 C160 H16F 109.5 . . ?
H16D C160 H16F 109.5 . . ?
H16E C160 H16F 109.5 . . ?
C170 N17 P12 113.2(6) . . ?
C170 N17 Zn6 118.9(6) . . ?
P12 N17 Zn6 111.6(5) . . ?
C170 N17 Zn4 104.5(7) . . ?
P12 N17 Zn4 109.2(4) . . ?
Zn6 N17 Zn4 97.4(3) . . ?
N17 C170 H17C 109.5 . . ?
N17 C170 H17D 109.5 . . ?
H17C C170 H17D 109.5 . . ?
N17 C170 H17E 109.5 . . ?
H17C C170 H17E 109.5 . . ?
H17D C170 H17E 109.5 . . ?
C180 N18 P13 118.7(8) . . ?
C180 N18 Zn7 114.1(7) . . ?
P13 N18 Zn7 124.2(5) . . ?
N18 C180 H18D 109.5 . . ?
N18 C180 H18E 109.5 . . ?
H18D C180 H18E 109.5 . . ?
N18 C180 H18F 109.5 . . ?
H18D C180 H18F 109.5 . . ?
H18E C180 H18F 109.5 . . ?
C190 N19 P13 117.2(8) . . ?
C190 N19 Zn4 110.3(7) . . ?
P13 N19 Zn4 112.6(5) . . ?
C190 N19 Zn5 131.5(7) . . ?
P13 N19 Zn5 98.6(4) . . ?
Zn4 N19 Zn5 81.3(3) . . ?
N19 C190 H19C 109.5 . . ?
N19 C190 H19D 109.5 . . ?
H19C C190 H19D 109.5 . . ?
N19 C190 H19E 109.5 . . ?
H19C C190 H19E 109.5 . . ?
H19D C190 H19E 109.5 . . ?
N25 P21 N24 116.7(4) . . ?
N25 P21 N21 101.7(4) . . ?
N24 P21 N21 112.5(5) . . ?
N25 P21 N23 111.7(5) . . ?
N24 P21 N23 102.8(4) . . ?
N21 P21 N23 111.7(4) . . ?
N25 P21 Zn8 125.1(4) . . ?
N24 P21 Zn8 56.1(3) . . ?
N21 P21 Zn8 132.5(3) . . ?
N23 P21 Zn8 47.1(3) . . ?
N25 P21 Zn11 45.1(4) . . ?
N24 P21 Zn11 123.1(3) . . ?
N21 P21 Zn11 57.6(3) . . ?
N23 P21 Zn11 133.9(3) . . ?
Zn8 P21 Zn11 169.94(11) . . ?
N26 P22 N22 105.5(4) . . ?
N26 P22 N23 116.6(5) . . ?
N22 P22 N23 112.8(4) . . ?
N26 P22 N27 111.3(6) . . ?
N22 P22 N27 109.7(5) . . ?
N23 P22 N27 100.9(4) . . ?
N26 P22 Zn9 64.8(3) . . ?
N22 P22 Zn9 42.8(3) . . ?
N23 P22 Zn9 143.8(3) . . ?
N27 P22 Zn9 112.2(3) . . ?
N28 P23 N22 108.1(5) . . ?
N28 P23 N29 113.3(5) . . ?
N22 P23 N29 113.3(5) . . ?
N28 P23 N21 112.8(5) . . ?
N22 P23 N21 108.2(4) . . ?
N29 P23 N21 101.0(4) . . ?
P21 N21 P23 119.9(5) . . ?
P21 N21 Zn7 117.4(4) . . ?
P23 N21 Zn7 122.2(5) . . ?
P21 N21 Zn11 88.3(3) . . ?
P23 N21 Zn11 88.7(3) . . ?
Zn7 N21 Zn11 100.2(3) . . ?
P22 N22 P23 119.2(5) . . ?
P22 N22 Zn9 104.0(5) . . ?
P23 N22 Zn9 135.7(5) . . ?
P22 N23 P21 119.5(5) . . ?
P22 N23 Zn8 139.9(5) . . ?
P21 N23 Zn8 97.4(4) . . ?
C240 N24 P21 119.3(7) . . ?
C240 N24 Zn3 107.8(7) . . ?
P21 N24 Zn3 125.3(4) . . ?
C240 N24 Zn8 122.7(7) . . ?
P21 N24 Zn8 88.4(4) . . ?
Zn3 N24 Zn8 88.6(3) . . ?
N24 C240 H24D 109.5 . . ?
N24 C240 H24E 109.5 . . ?
H24D C240 H24E 109.5 . . ?
N24 C240 H24F 109.5 . . ?
H24D C240 H24F 109.5 . . ?
H24E C240 H24F 109.5 . . ?
C250 N25 P21 120.3(7) . . ?
C250 N25 Zn11 133.5(7) . . ?
P21 N25 Zn11 101.9(5) . . ?
C250 N25 Zn10 104.0(7) . . ?
P21 N25 Zn10 108.3(4) . . ?
Zn11 N25 Zn10 78.0(3) . . ?
N25 C250 H25A 109.5 . . ?
N25 C250 H25B 109.5 . . ?
H25A C250 H25B 109.5 . . ?
N25 C250 H25C 109.5 . . ?
H25A C250 H25C 109.5 . . ?
H25B C250 H25C 109.5 . . ?
C260 N26 P22 116.2(9) . . ?
C260 N26 Zn2 107.3(9) . . ?
P22 N26 Zn2 130.2(5) . . ?
N26 C260 H26A 109.5 . . ?
N26 C260 H26B 109.5 . . ?
H26A C260 H26B 109.5 . . ?
N26 C260 H26C 109.5 . . ?
H26A C260 H26C 109.5 . . ?
H26B C260 H26C 109.5 . . ?
C270 N27 P22 112.7(9) . . ?
C270 N27 Zn12 118.7(8) . . ?
P22 N27 Zn12 108.2(5) . . ?
C270 N27 Zn10 105.7(9) . . ?
P22 N27 Zn10 110.6(5) . . ?
Zn12 N27 Zn10 100.2(5) . . ?
N27 C270 H27A 109.5 . . ?
N27 C270 H27B 109.5 . . ?
H27A C270 H27B 109.5 . . ?
N27 C270 H27C 109.5 . . ?
H27A C270 H27C 109.5 . . ?
H27B C270 H27C 109.5 . . ?
C280 N28 P23 119.7(7) . . ?
C280 N28 Zn1 115.9(7) . . ?
P23 N28 Zn1 123.2(5) . . ?
N28 C280 H28A 109.5 . . ?
N28 C280 H28B 109.5 . . ?
H28A C280 H28B 109.5 . . ?
N28 C280 H28C 109.5 . . ?
H28A C280 H28C 109.5 . . ?
H28B C280 H28C 109.5 . . ?
C290 N29 P23 117.5(7) . . ?
C290 N29 Zn10 109.1(8) . . ?
P23 N29 Zn10 113.8(5) . . ?
C290 N29 Zn11 130.6(8) . . ?
P23 N29 Zn11 100.3(4) . . ?
Zn10 N29 Zn11 80.2(3) . . ?
N29 C290 H29A 109.5 . . ?
N29 C290 H29B 109.5 . . ?
H29A C290 H29B 109.5 . . ?
N29 C290 H29C 109.5 . . ?
H29A C290 H29C 109.5 . . ?
H29B C290 H29C 109.5 . . ?
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 N28 1.953(8) . ?
Zn1 C1 1.994(11) . ?
Zn1 N11 2.072(8) . ?
C1 C2 1.487(19) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
Zn2 C3 1.935(13) . ?
Zn2 N26 2.038(10) . ?
Zn2 N13 2.065(9) . ?
Zn2 N14 2.400(9) . ?
Zn2 P11 2.838(3) . ?
Zn2 Zn9 2.990(2) . ?
C3 C4 1.42(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
Zn3 C5 1.974(14) . ?
Zn3 N12 2.014(7) . ?
Zn3 N24 2.049(8) . ?
Zn3 Zn8 3.066(2) . ?
C5 C6 1.406(18) . ?
C5 C6' 1.433(19) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C6' H6'1 0.9800 . ?
C6' H6'2 0.9800 . ?
C6' H6'3 0.9800 . ?
Zn4 C7 1.986(11) . ?
Zn4 N19 2.059(9) . ?
Zn4 N17 2.124(8) . ?
Zn4 N15 2.190(10) . ?
Zn4 Zn5 2.7555(19) . ?
Zn4 Zn6 3.023(2) . ?
C7 C8 1.529(17) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
Zn5 C9 1.939(13) . ?
Zn5 N15 2.079(10) . ?
Zn5 N19 2.167(10) . ?
Zn5 N11 2.392(7) . ?
Zn5 P11 2.869(3) . ?
Zn5 P13 2.917(3) . ?
C9 C10 1.39(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
Zn6 N17 1.893(9) . ?
Zn6 C11 1.931(13) . ?
C11 C12 1.50(2) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
Zn7 N18 1.949(9) . ?
Zn7 C13' 2.01(6) . ?
Zn7 C13 2.04(3) . ?
Zn7 N21 2.043(9) . ?
C13 C14 1.441(18) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C13' C14' 1.43(2) . ?
C13' H13C 0.9900 . ?
C13' H13D 0.9900 . ?
C14' H14D 0.9800 . ?
C14' H14E 0.9800 . ?
C14' H14F 0.9800 . ?
Zn8 C15 1.955(11) . ?
Zn8 N16 2.016(8) . ?
Zn8 N23 2.073(8) . ?
Zn8 N24 2.333(9) . ?
Zn8 P21 2.808(3) . ?
C15 C16 1.460(18) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
Zn9 C17 1.955(13) . ?
Zn9 N22 2.014(8) . ?
Zn9 N14 2.051(10) . ?
Zn9 P22 2.875(3) . ?
C17 C18 1.53(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
Zn10 C19 2.038(15) . ?
Zn10 N29 2.049(10) . ?
Zn10 N27 2.076(13) . ?
Zn10 N25 2.193(9) . ?
Zn10 Zn11 2.711(3) . ?
Zn10 Zn12 3.052(3) . ?
C19 C20 1.38(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
Zn11 C21 1.916(14) . ?
Zn11 N25 2.112(10) . ?
Zn11 N29 2.158(10) . ?
Zn11 N21 2.466(7) . ?
Zn11 P21 2.919(3) . ?
C21 C22' 1.428(19) . ?
C21 C22 1.429(17) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22' H22D 0.9800 . ?
C22' H22E 0.9800 . ?
C22' H22F 0.9800 . ?
Zn12 N27 1.902(9) . ?
Zn12 C23 1.946(13) . ?
C23 C24 1.46(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
P11 N14 1.622(10) . ?
P11 N11 1.626(8) . ?
P11 N13 1.630(8) . ?
P11 N15 1.640(9) . ?
P12 N16 1.602(8) . ?
P12 N12 1.615(8) . ?
P12 N13 1.619(9) . ?
P12 N17 1.700(8) . ?
P13 N18 1.592(9) . ?
P13 N12 1.644(7) . ?
P13 N19 1.657(9) . ?
P13 N11 1.666(9) . ?
N14 C140 1.507(13) . ?
C140 H14G 0.9800 . ?
C140 H14H 0.9800 . ?
C140 H14I 0.9800 . ?
N15 C150 1.514(14) . ?
C150 H15C 0.9800 . ?
C150 H15D 0.9800 . ?
C150 H15E 0.9800 . ?
N16 C160 1.482(13) . ?
C160 H16D 0.9800 . ?
C160 H16E 0.9800 . ?
C160 H16F 0.9800 . ?
N17 C170 1.525(14) . ?
C170 H17C 0.9800 . ?
C170 H17D 0.9800 . ?
C170 H17E 0.9800 . ?
N18 C180 1.485(14) . ?
C180 H18D 0.9800 . ?
C180 H18E 0.9800 . ?
C180 H18F 0.9800 . ?
N19 C190 1.497(15) . ?
C190 H19C 0.9800 . ?
C190 H19D 0.9800 . ?
C190 H19E 0.9800 . ?
P21 N25 1.626(8) . ?
P21 N24 1.629(9) . ?
P21 N21 1.635(9) . ?
P21 N23 1.645(9) . ?
P22 N26 1.599(10) . ?
P22 N22 1.621(8) . ?
P22 N23 1.637(8) . ?
P22 N27 1.723(10) . ?
P23 N28 1.572(9) . ?
P23 N22 1.641(9) . ?
P23 N29 1.651(9) . ?
P23 N21 1.659(9) . ?
N24 C240 1.498(12) . ?
C240 H24D 0.9800 . ?
C240 H24E 0.9800 . ?
C240 H24F 0.9800 . ?
N25 C250 1.506(14) . ?
C250 H25A 0.9800 . ?
C250 H25B 0.9800 . ?
C250 H25C 0.9800 . ?
N26 C260 1.479(14) . ?
C260 H26A 0.9800 . ?
C260 H26B 0.9800 . ?
C260 H26C 0.9800 . ?
N27 C270 1.531(15) . ?
C270 H27A 0.9800 . ?
C270 H27B 0.9800 . ?
C270 H27C 0.9800 . ?
N28 C280 1.492(14) . ?
C280 H28A 0.9800 . ?
C280 H28B 0.9800 . ?
C280 H28C 0.9800 . ?
N29 C290 1.497(14) . ?
C290 H29A 0.9800 . ?
C290 H29B 0.9800 . ?
C290 H29C 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N14 P11 N11 P13 155.4(5) . . . . ?
N13 P11 N11 P13 40.6(7) . . . . ?
N15 P11 N11 P13 -78.7(6) . . . . ?
Zn2 P11 N11 P13 88.5(6) . . . . ?
Zn5 P11 N11 P13 -89.6(5) . . . . ?
N14 P11 N11 Zn1 -13.1(6) . . . . ?
N13 P11 N11 Zn1 -127.9(5) . . . . ?
N15 P11 N11 Zn1 112.8(5) . . . . ?
Zn2 P11 N11 Zn1 -80.0(5) . . . . ?
Zn5 P11 N11 Zn1 102.0(4) . . . . ?
N14 P11 N11 Zn5 -115.0(4) . . . . ?
N13 P11 N11 Zn5 130.1(4) . . . . ?
N15 P11 N11 Zn5 10.9(4) . . . . ?
Zn2 P11 N11 Zn5 178.1(2) . . . . ?
N18 P13 N11 P11 -164.7(5) . . . . ?
N12 P13 N11 P11 -45.4(6) . . . . ?
N19 P13 N11 P11 74.3(6) . . . . ?
Zn5 P13 N11 P11 88.9(5) . . . . ?
N18 P13 N11 Zn1 2.5(7) . . . . ?
N12 P13 N11 Zn1 121.8(5) . . . . ?
N19 P13 N11 Zn1 -118.5(5) . . . . ?
Zn5 P13 N11 Zn1 -103.9(5) . . . . ?
N18 P13 N11 Zn5 106.3(4) . . . . ?
N12 P13 N11 Zn5 -134.3(3) . . . . ?
N19 P13 N11 Zn5 -14.7(4) . . . . ?
N16 P12 N12 P13 -171.1(5) . . . . ?
N13 P12 N12 P13 -42.9(7) . . . . ?
N17 P12 N12 P13 69.2(6) . . . . ?
N16 P12 N12 Zn3 18.7(5) . . . . ?
N13 P12 N12 Zn3 146.9(4) . . . . ?
N17 P12 N12 Zn3 -100.9(4) . . . . ?
N18 P13 N12 P12 169.8(5) . . . . ?
N19 P13 N12 P12 -64.3(7) . . . . ?
N11 P13 N12 P12 46.3(6) . . . . ?
Zn5 P13 N12 P12 -12.0(8) . . . . ?
N18 P13 N12 Zn3 -22.3(7) . . . . ?
N19 P13 N12 Zn3 103.5(6) . . . . ?
N11 P13 N12 Zn3 -145.8(5) . . . . ?
Zn5 P13 N12 Zn3 155.9(3) . . . . ?
N16 P12 N13 P11 160.7(5) . . . . ?
N12 P12 N13 P11 37.5(7) . . . . ?
N17 P12 N13 P11 -80.1(6) . . . . ?
N16 P12 N13 Zn2 -1.2(9) . . . . ?
N12 P12 N13 Zn2 -124.4(6) . . . . ?
N17 P12 N13 Zn2 118.0(7) . . . . ?
N14 P11 N13 P12 -157.7(6) . . . . ?
N11 P11 N13 P12 -36.3(7) . . . . ?
N15 P11 N13 P12 75.4(7) . . . . ?
Zn2 P11 N13 P12 -167.4(8) . . . . ?
Zn5 P11 N13 P12 26.3(8) . . . . ?
N14 P11 N13 Zn2 9.7(5) . . . . ?
N11 P11 N13 Zn2 131.1(4) . . . . ?
N15 P11 N13 Zn2 -117.1(5) . . . . ?
Zn5 P11 N13 Zn2 -166.27(17) . . . . ?
N11 P11 N14 C140 98.7(9) . . . . ?
N13 P11 N14 C140 -142.0(9) . . . . ?
N15 P11 N14 C140 -18.0(11) . . . . ?
Zn2 P11 N14 C140 -133.8(10) . . . . ?
Zn5 P11 N14 C140 34.6(10) . . . . ?
N11 P11 N14 Zn9 -46.9(7) . . . . ?
N13 P11 N14 Zn9 72.4(6) . . . . ?
N15 P11 N14 Zn9 -163.6(5) . . . . ?
Zn2 P11 N14 Zn9 80.6(5) . . . . ?
Zn5 P11 N14 Zn9 -111.0(5) . . . . ?
N11 P11 N14 Zn2 -127.6(4) . . . . ?
N13 P11 N14 Zn2 -8.3(4) . . . . ?
N15 P11 N14 Zn2 115.8(4) . . . . ?
Zn5 P11 N14 Zn2 168.34(14) . . . . ?
N14 P11 N15 C150 -48.9(10) . . . . ?
N11 P11 N15 C150 -172.4(8) . . . . ?
N13 P11 N15 C150 70.0(9) . . . . ?
Zn2 P11 N15 C150 19.0(10) . . . . ?
Zn5 P11 N15 C150 -159.6(11) . . . . ?
N14 P11 N15 Zn5 110.7(5) . . . . ?
N11 P11 N15 Zn5 -12.7(5) . . . . ?
N13 P11 N15 Zn5 -130.4(4) . . . . ?
Zn2 P11 N15 Zn5 178.58(17) . . . . ?
N14 P11 N15 Zn4 -166.2(4) . . . . ?
N11 P11 N15 Zn4 70.4(5) . . . . ?
N13 P11 N15 Zn4 -47.3(6) . . . . ?
Zn2 P11 N15 Zn4 -98.3(5) . . . . ?
Zn5 P11 N15 Zn4 83.1(5) . . . . ?
N12 P12 N16 C160 -163.8(8) . . . . ?
N13 P12 N16 C160 71.0(9) . . . . ?
N17 P12 N16 C160 -43.7(10) . . . . ?
N12 P12 N16 Zn8 47.9(7) . . . . ?
N13 P12 N16 Zn8 -77.3(7) . . . . ?
N17 P12 N16 Zn8 168.0(6) . . . . ?
N16 P12 N17 C170 -58.4(9) . . . . ?
N12 P12 N17 C170 59.7(8) . . . . ?
N13 P12 N17 C170 177.8(7) . . . . ?
N16 P12 N17 Zn6 78.9(5) . . . . ?
N12 P12 N17 Zn6 -162.9(4) . . . . ?
N13 P12 N17 Zn6 -44.8(5) . . . . ?
N16 P12 N17 Zn4 -174.5(4) . . . . ?
N12 P12 N17 Zn4 -56.3(5) . . . . ?
N13 P12 N17 Zn4 61.8(5) . . . . ?
Zn4 Zn6 N17 C170 -111.2(9) . . . . ?
Zn4 Zn6 N17 P12 114.2(5) . . . . ?
N12 P13 N18 C180 169.4(9) . . . . ?
N19 P13 N18 C180 43.0(11) . . . . ?
N11 P13 N18 C180 -70.6(10) . . . . ?
Zn5 P13 N18 C180 -9.2(10) . . . . ?
N12 P13 N18 Zn7 -31.2(7) . . . . ?
N19 P13 N18 Zn7 -157.7(6) . . . . ?
N11 P13 N18 Zn7 88.8(7) . . . . ?
Zn5 P13 N18 Zn7 150.1(4) . . . . ?
N18 P13 N19 C190 41.0(9) . . . . ?
N12 P13 N19 C190 -81.8(8) . . . . ?
N11 P13 N19 C190 162.7(8) . . . . ?
Zn5 P13 N19 C190 146.2(9) . . . . ?
N18 P13 N19 Zn4 170.6(5) . . . . ?
N12 P13 N19 Zn4 47.8(7) . . . . ?
N11 P13 N19 Zn4 -67.7(5) . . . . ?
Zn5 P13 N19 Zn4 -84.1(5) . . . . ?
N18 P13 N19 Zn5 -105.3(5) . . . . ?
N12 P13 N19 Zn5 131.9(4) . . . . ?
N11 P13 N19 Zn5 16.4(4) . . . . ?
N25 P21 N21 P23 -77.8(6) . . . . ?
N24 P21 N21 P23 156.5(5) . . . . ?
N23 P21 N21 P23 41.5(6) . . . . ?
Zn8 P21 N21 P23 92.5(5) . . . . ?
Zn11 P21 N21 P23 -87.6(5) . . . . ?
N25 P21 N21 Zn7 110.4(5) . . . . ?
N24 P21 N21 Zn7 -15.2(6) . . . . ?
N23 P21 N21 Zn7 -130.3(4) . . . . ?
Zn8 P21 N21 Zn7 -79.3(5) . . . . ?
Zn11 P21 N21 Zn7 100.6(5) . . . . ?
N25 P21 N21 Zn11 9.8(4) . . . . ?
N24 P21 N21 Zn11 -115.9(4) . . . . ?
N23 P21 N21 Zn11 129.1(4) . . . . ?
Zn8 P21 N21 Zn11 -179.9(2) . . . . ?
N28 P23 N21 P21 -166.0(5) . . . . ?
N22 P23 N21 P21 -46.4(6) . . . . ?
N29 P23 N21 P21 72.7(6) . . . . ?
N28 P23 N21 Zn7 5.4(7) . . . . ?
N22 P23 N21 Zn7 124.9(5) . . . . ?
N29 P23 N21 Zn7 -115.9(6) . . . . ?
N28 P23 N21 Zn11 106.6(4) . . . . ?
N22 P23 N21 Zn11 -133.8(3) . . . . ?
N29 P23 N21 Zn11 -14.6(5) . . . . ?
N26 P22 N22 P23 -172.0(6) . . . . ?
N23 P22 N22 P23 -43.7(7) . . . . ?
N27 P22 N22 P23 68.0(7) . . . . ?
Zn9 P22 N22 P23 169.8(8) . . . . ?
N26 P22 N22 Zn9 18.2(6) . . . . ?
N23 P22 N22 Zn9 146.5(4) . . . . ?
N27 P22 N22 Zn9 -101.8(5) . . . . ?
N28 P23 N22 P22 169.6(6) . . . . ?
N29 P23 N22 P22 -63.9(7) . . . . ?
N21 P23 N22 P22 47.2(7) . . . . ?
N28 P23 N22 Zn9 -24.7(8) . . . . ?
N29 P23 N22 Zn9 101.8(7) . . . . ?
N21 P23 N22 Zn9 -147.1(6) . . . . ?
N26 P22 N23 P21 158.9(5) . . . . ?
N22 P22 N23 P21 36.6(7) . . . . ?
N27 P22 N23 P21 -80.4(6) . . . . ?
Zn9 P22 N23 P21 76.0(7) . . . . ?
N26 P22 N23 Zn8 4.4(9) . . . . ?
N22 P22 N23 Zn8 -117.9(7) . . . . ?
N27 P22 N23 Zn8 125.2(7) . . . . ?
Zn9 P22 N23 Zn8 -78.5(9) . . . . ?
N25 P21 N23 P22 77.9(6) . . . . ?
N24 P21 N23 P22 -156.2(5) . . . . ?
N21 P21 N23 P22 -35.3(7) . . . . ?
Zn8 P21 N23 P22 -163.7(7) . . . . ?
Zn11 P21 N23 P22 30.1(7) . . . . ?
N25 P21 N23 Zn8 -118.4(4) . . . . ?
N24 P21 N23 Zn8 7.5(4) . . . . ?
N21 P21 N23 Zn8 128.4(4) . . . . ?
Zn11 P21 N23 Zn8 -166.20(16) . . . . ?
N25 P21 N24 C240 -11.2(10) . . . . ?
N21 P21 N24 C240 105.8(8) . . . . ?
N23 P21 N24 C240 -133.8(8) . . . . ?
Zn8 P21 N24 C240 -127.2(9) . . . . ?
Zn11 P21 N24 C240 40.8(9) . . . . ?
N25 P21 N24 Zn3 -156.9(6) . . . . ?
N21 P21 N24 Zn3 -39.9(7) . . . . ?
N23 P21 N24 Zn3 80.5(6) . . . . ?
Zn8 P21 N24 Zn3 87.1(5) . . . . ?
Zn11 P21 N24 Zn3 -104.9(5) . . . . ?
N25 P21 N24 Zn8 116.0(5) . . . . ?
N21 P21 N24 Zn8 -127.0(4) . . . . ?
N23 P21 N24 Zn8 -6.6(4) . . . . ?
Zn11 P21 N24 Zn8 167.97(14) . . . . ?
N24 P21 N25 C250 -48.5(11) . . . . ?
N21 P21 N25 C250 -171.3(9) . . . . ?
N23 P21 N25 C250 69.3(10) . . . . ?
Zn8 P21 N25 C250 17.4(11) . . . . ?
Zn11 P21 N25 C250 -159.7(12) . . . . ?
N24 P21 N25 Zn11 111.1(5) . . . . ?
N21 P21 N25 Zn11 -11.7(5) . . . . ?
N23 P21 N25 Zn11 -131.0(4) . . . . ?
Zn8 P21 N25 Zn11 177.03(16) . . . . ?
N24 P21 N25 Zn10 -167.7(4) . . . . ?
N21 P21 N25 Zn10 69.5(6) . . . . ?
N23 P21 N25 Zn10 -49.8(6) . . . . ?
Zn8 P21 N25 Zn10 -101.8(4) . . . . ?
Zn11 P21 N25 Zn10 81.2(4) . . . . ?
N22 P22 N26 C260 -158.0(9) . . . . ?
N23 P22 N26 C260 76.0(11) . . . . ?
N27 P22 N26 C260 -39.1(11) . . . . ?
Zn9 P22 N26 C260 -144.4(11) . . . . ?
N22 P22 N26 Zn2 53.9(7) . . . . ?
N23 P22 N26 Zn2 -72.2(7) . . . . ?
N27 P22 N26 Zn2 172.8(6) . . . . ?
Zn9 P22 N26 Zn2 67.5(5) . . . . ?
N26 P22 N27 C270 -55.1(10) . . . . ?
N22 P22 N27 C270 61.3(10) . . . . ?
N23 P22 N27 C270 -179.5(9) . . . . ?
Zn9 P22 N27 C270 15.3(10) . . . . ?
N26 P22 N27 Zn12 78.1(6) . . . . ?
N22 P22 N27 Zn12 -165.5(5) . . . . ?
N23 P22 N27 Zn12 -46.3(7) . . . . ?
Zn9 P22 N27 Zn12 148.6(4) . . . . ?
N26 P22 N27 Zn10 -173.1(4) . . . . ?
N22 P22 N27 Zn10 -56.7(6) . . . . ?
N23 P22 N27 Zn10 62.5(5) . . . . ?
Zn9 P22 N27 Zn10 -102.7(4) . . . . ?
N22 P23 N28 C280 167.5(9) . . . . ?
N29 P23 N28 C280 41.0(11) . . . . ?
N21 P23 N28 C280 -72.9(10) . . . . ?
N22 P23 N28 Zn1 -25.5(8) . . . . ?
N29 P23 N28 Zn1 -152.0(6) . . . . ?
N21 P23 N28 Zn1 94.0(7) . . . . ?
N28 P23 N29 C290 43.3(12) . . . . ?
N22 P23 N29 C290 -80.4(11) . . . . ?
N21 P23 N29 C290 164.1(10) . . . . ?
N28 P23 N29 Zn10 172.4(5) . . . . ?
N22 P23 N29 Zn10 48.7(6) . . . . ?
N21 P23 N29 Zn10 -66.7(6) . . . . ?
N28 P23 N29 Zn11 -103.8(5) . . . . ?
N22 P23 N29 Zn11 132.5(4) . . . . ?
N21 P23 N29 Zn11 17.0(5) . . . . ?
