#------------------------------------------------------------------------------
#$Date: 2019-11-07 23:30:02 +0200 (Thu, 07 Nov 2019) $
#$Revision: 224030 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/12/7701261.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_7701261
loop_
_publ_author_name
'Huang, Chao'
'Zhu, Kaifang'
'Zhang, Yingying'
'Lu, Guizhen'
'Shao, Zhichao'
'Gao, Kuan'
'Mi, Liwei'
'Hou, Hongwei'
_publ_section_title
;
 Surfactant-assisted assembly of nanoscale zinc coordination compounds to
 enhance tandem conversion reactions in water.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16008
_journal_page_last               16016
_journal_paper_doi               10.1039/c9dt03145f
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C10 H8 N20 O3 Zn3, O'
_chemical_formula_sum            'C10 H10 N20 O4 Zn3'
_chemical_formula_weight         670.49
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2019-08-25
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_audit_update_record
;
2019-08-26 deposited with the CCDC.    2019-09-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.33(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.348(4)
_cell_length_b                   12.590(3)
_cell_length_c                   19.354(4)
_cell_measurement_reflns_used    5893
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8724
_cell_measurement_theta_min      2.0072
_cell_volume                     4405(2)
_computing_data_collection       'Rigaku Saturn 724 CCD'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'SHELXL(Sheldrick, 2018)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_unetI/netI     0.0416
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            16809
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.498
_diffrn_reflns_theta_min         1.971
_exptl_absorpt_coefficient_mu    3.310
_exptl_absorpt_correction_T_max  0.6195
_exptl_absorpt_correction_T_min  0.5574
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC Inc., 2006)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.022
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2656
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.390
_refine_diff_density_min         -0.558
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         4106
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0495
_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)+(0.0341P)²+8.7979P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.0964
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3590
_reflns_number_total             4106
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt03145f2.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7701260--7701261.cif.
;
_cod_original_cell_volume        4404.6(19)
_cod_database_code               7701261
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.619
_shelx_estimated_absorpt_t_min   0.557
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H) groups
2. Restrained distances
 O1-H1A
 0.85 with sigma of 0.02
 O2-H2A
 0.85 with sigma of 0.02
 O2-H2B
 0.85 with sigma of 0.02
 O3-H3A
 0.85 with sigma of 0.02
 O3-H3B
 0.85 with sigma of 0.02
 H3A-H3B
 1.42 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O4) = Uanis(O0AA)
4. Others
 Sof(O4)=1-FVAR(1)
 Sof(O0AA)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C6(H6)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.14020(3) -0.03621(4) 0.28704(3) 0.03706(17) Uani 1 1 d . . . .
Zn2 Zn 0.14291(3) 0.54308(4) -0.16476(3) 0.03614(16) Uani 1 1 d . . . .
Zn3 Zn 0.03228(3) 0.25231(4) 0.00647(3) 0.03184(15) Uani 1 1 d . . . .
O1 O 0.2524(3) -0.0505(4) 0.3422(4) 0.0832(15) Uani 1 1 d D . . .
O2 O -0.0783(3) 0.2587(3) -0.0427(3) 0.0660(12) Uani 1 1 d D . . .
O3 O 0.2507(3) 0.5880(6) -0.1106(4) 0.1034(19) Uani 1 1 d D . . .
O0AA O 0.2693(6) 0.3743(12) -0.0062(7) 0.205(6) Uani 0.712(11) 1 d . P A 1
O4 O 0.2785(18) 0.285(3) -0.0534(19) 0.205(6) Uani 0.288(11) 1 d . P A 2
N1 N 0.0925(2) 0.3653(3) 0.2410(2) 0.0372(9) Uani 1 1 d . . . .
N2 N 0.0643(2) 0.2993(3) 0.1227(2) 0.0345(9) Uani 1 1 d . . . .
N3 N 0.1352(3) 0.2644(3) 0.3839(2) 0.0521(12) Uani 1 1 d . . . .
N4 N 0.1568(3) 0.1945(4) 0.4431(3) 0.0644(15) Uani 1 1 d . . . .
N5 N 0.1562(3) 0.0988(3) 0.4177(2) 0.0605(14) Uani 1 1 d . . . .
N6 N 0.1326(3) 0.1024(3) 0.3395(2) 0.0443(11) Uani 1 1 d . . . .
N7 N 0.1033(2) 0.0172(3) 0.1773(2) 0.0315(9) Uani 1 1 d . . . .
N8 N 0.1011(2) -0.0483(3) 0.1198(2) 0.0366(9) Uani 1 1 d . . . .
N9 N 0.0821(2) 0.0055(3) 0.0567(2) 0.0411(10) Uani 1 1 d . . . .
N10 N 0.0719(2) 0.1081(3) 0.0701(2) 0.0360(9) Uani 1 1 d . . . .
N11 N 0.0558(2) 0.2070(3) -0.0871(2) 0.0355(9) Uani 1 1 d . . . .
N12 N 0.0920(2) 0.1400(3) -0.1716(2) 0.0380(10) Uani 1 1 d . . . .
N13 N 0.1647(3) 0.2369(3) -0.2492(3) 0.0482(11) Uani 1 1 d . . . .
N14 N 0.1968(3) 0.3064(4) -0.2775(3) 0.0560(13) Uani 1 1 d . . . .
N15 N 0.1896(3) 0.4025(4) -0.2571(2) 0.0504(12) Uani 1 1 d . . . .
N16 N 0.1518(2) 0.3991(3) -0.2147(2) 0.0386(10) Uani 1 1 d . . . .
N17 N 0.1067(2) 0.4867(3) -0.0918(2) 0.0307(9) Uani 1 1 d . . . .
N18 N 0.1060(2) 0.5503(3) -0.0352(2) 0.0371(10) Uani 1 1 d . . . .
N19 N 0.0845(2) 0.4954(3) 0.0073(2) 0.0387(10) Uani 1 1 d . . . .
N20 N 0.0711(2) 0.3945(3) -0.0197(2) 0.0343(9) Uani 1 1 d . . . .
C1 C 0.0720(3) 0.3860(3) 0.1659(3) 0.0374(11) Uani 1 1 d . . . .
H1 H 0.063945 0.454430 0.145542 0.045 Uiso 1 1 calc R . . .
C2 C 0.0982(3) 0.2560(3) 0.2467(3) 0.0337(11) Uani 1 1 d . . . .
C3 C 0.0815(3) 0.2159(3) 0.1751(3) 0.0317(10) Uani 1 1 d . . . .
C4 C 0.1212(3) 0.2063(3) 0.3222(3) 0.0405(12) Uani 1 1 d . . . .
C5 C 0.0850(3) 0.1132(3) 0.1438(3) 0.0312(10) Uani 1 1 d . . . .
C6 C 0.0644(3) 0.1203(3) -0.1217(3) 0.0385(12) Uani 1 1 d . . . .
H6 H 0.052451 0.052451 -0.112116 0.046 Uiso 1 1 calc R . . .
C7 C 0.1029(3) 0.2491(3) -0.1684(3) 0.0325(10) Uani 1 1 d . . . .
C8 C 0.0802(3) 0.2890(3) -0.1169(3) 0.0319(10) Uani 1 1 d . . . .
C9 C 0.1378(3) 0.2964(3) -0.2108(3) 0.0359(11) Uani 1 1 d . . . .
C10 C 0.0857(2) 0.3909(3) -0.0799(2) 0.0295(10) Uani 1 1 d . . . .
H2A H -0.098(3) 0.216(3) -0.083(2) 0.044 Uiso 1 1 d DR . . .
H2B H -0.087(3) 0.3268(17) -0.045(3) 0.044 Uiso 1 1 d DR . . .
H3A H 0.263(6) 0.629(8) -0.071(5) 0.24(7) Uiso 1 1 d D . . .
H3B H 0.287(5) 0.554(13) -0.109(9) 0.45(13) Uiso 1 1 d D . . .
H1A H 0.279(7) -0.027(10) 0.389(3) 0.28(9) Uiso 1 1 d D . . .
H1B H 0.281(4) -0.008(6) 0.318(5) 0.12(3) Uiso 1 1 d . . . .
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
O1 Zn1 N6 97.8(2) . .
N7 Zn1 O1 111.6(2) . .
N7 Zn1 N6 99.21(14) . .
N12 Zn1 O1 111.63(19) 6_556 .
N12 Zn1 N6 101.20(15) 6_556 .
N12 Zn1 N7 128.59(16) 6_556 .
O3 Zn2 N16 100.2(2) . .
N1 Zn2 O3 106.9(2) 6_565 .
N1 Zn2 N16 101.24(15) 6_565 .
N1 Zn2 N17 130.39(16) 6_565 .
N17 Zn2 O3 113.3(2) . .
N17 Zn2 N16 99.00(14) . .
O2 Zn3 N2 102.95(17) . .
O2 Zn3 N10 110.67(17) . .
O2 Zn3 N11 104.29(17) . .
O2 Zn3 N20 108.32(17) . .
N2 Zn3 N10 76.93(14) . .
N2 Zn3 N11 152.69(16) . .
N10 Zn3 N11 95.14(14) . .
N20 Zn3 N2 92.95(13) . .
N20 Zn3 N10 140.98(16) . .
N20 Zn3 N11 76.71(13) . .
Zn1 O1 H1A 123(10) . .
Zn1 O1 H1B 116(4) . .
H1A O1 H1B 94(9) . .
Zn3 O2 H2A 111(3) . .
Zn3 O2 H2B 102(3) . .
H2A O2 H2B 124(5) . .
Zn2 O3 H3A 115(8) . .
Zn2 O3 H3B 127(10) . .
H3A O3 H3B 113(4) . .
C1 N1 Zn2 130.6(3) . 6_566
C1 N1 C2 104.6(4) . .
C2 N1 Zn2 120.9(3) . 6_566
C1 N2 Zn3 141.3(3) . .
C1 N2 C3 104.1(4) . .
C3 N2 Zn3 114.6(3) . .
C4 N3 N4 105.0(4) . .
N5 N4 N3 109.9(4) . .
N4 N5 N6 109.0(4) . .
N5 N6 Zn1 116.8(3) . .
C4 N6 Zn1 138.2(3) . .
C4 N6 N5 104.0(4) . .
N8 N7 Zn1 120.8(3) . .
C5 N7 Zn1 134.2(3) . .
C5 N7 N8 104.6(3) . .
N9 N8 N7 109.7(3) . .
N8 N9 N10 108.9(3) . .
N9 N10 Zn3 138.8(3) . .
C5 N10 Zn3 114.6(3) . .
C5 N10 N9 106.3(4) . .
C6 N11 Zn3 140.4(3) . .
C6 N11 C8 104.3(3) . .
C8 N11 Zn3 114.5(3) . .
C6 N12 Zn1 127.5(3) . 6
C6 N12 C7 105.1(4) . .
C7 N12 Zn1 124.4(3) . 6
C9 N13 N14 105.1(4) . .
N15 N14 N13 109.6(4) . .
N14 N15 N16 109.1(4) . .
N15 N16 Zn2 116.3(3) . .
C9 N16 Zn2 138.1(3) . .
C9 N16 N15 105.1(4) . .
N18 N17 Zn2 120.2(3) . .
C10 N17 Zn2 134.0(3) . .
C10 N17 N18 105.6(3) . .
N19 N18 N17 109.2(3) . .
N18 N19 N20 108.8(3) . .
N19 N20 Zn3 137.3(3) . .
C10 N20 Zn3 116.2(3) . .
C10 N20 N19 106.5(3) . .
N1 C1 H1 123.0 . .
N2 C1 N1 114.0(4) . .
N2 C1 H1 123.0 . .
N1 C2 C4 119.0(4) . .
C3 C2 N1 108.4(4) . .
C3 C2 C4 132.6(4) . .
N2 C3 C5 114.6(4) . .
C2 C3 N2 108.9(4) . .
C2 C3 C5 136.1(4) . .
N3 C4 N6 112.0(4) . .
N3 C4 C2 120.5(4) . .
N6 C4 C2 127.4(4) . .
N7 C5 C3 131.4(4) . .
N10 C5 N7 110.5(4) . .
N10 C5 C3 118.0(4) . .
N11 C6 N12 113.8(4) . .
N11 C6 H6 123.1 . .
N12 C6 H6 123.1 . .
N12 C7 C9 119.7(4) . .
C8 C7 N12 107.1(4) . .
C8 C7 C9 133.0(4) . .
N11 C8 C10 114.6(4) . .
C7 C8 N11 109.6(4) . .
C7 C8 C10 135.1(4) . .
N13 C9 C7 121.4(4) . .
N16 C9 N13 111.0(4) . .
N16 C9 C7 127.5(4) . .
N17 C10 C8 132.3(4) . .
N20 C10 N17 109.8(4) . .
N20 C10 C8 117.8(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 2.037(5) .
Zn1 N6 2.060(4) .
Zn1 N7 2.015(3) .
Zn1 N12 2.007(4) 6_556
Zn2 O3 2.030(5) .
Zn2 N1 1.997(4) 6_565
Zn2 N16 2.101(4) .
Zn2 N17 1.999(3) .
Zn3 O2 2.002(5) .
Zn3 N2 2.119(4) .
Zn3 N10 2.134(4) .
Zn3 N11 2.153(4) .
Zn3 N20 2.110(3) .
O1 H1A 0.86(2) .
O1 H1B 1.04(8) .
O2 H2A 0.875(19) .
O2 H2B 0.870(19) .
O3 H3A 0.86(2) .
O3 H3B 0.85(2) .
N1 C1 1.343(5) .
N1 C2 1.381(5) .
N2 C1 1.339(6) .
N2 C3 1.387(5) .
N3 N4 1.350(6) .
N3 C4 1.315(6) .
N4 N5 1.300(6) .
N5 N6 1.364(5) .
N6 C4 1.344(6) .
N7 N8 1.370(5) .
N7 C5 1.341(5) .
N8 N9 1.291(5) .
N9 N10 1.353(5) .
N10 C5 1.327(5) .
N11 C6 1.333(5) .
N11 C8 1.380(5) .
N12 C6 1.345(5) .
N12 C7 1.388(5) .
N13 N14 1.349(6) .
N13 C9 1.337(5) .
N14 N15 1.302(6) .
N15 N16 1.358(5) .
N16 C9 1.334(6) .
N17 N18 1.363(5) .
N17 C10 1.335(5) .
N18 N19 1.295(5) .
N19 N20 1.353(5) .
N20 C10 1.329(5) .
C1 H1 0.9300 .
C2 C3 1.364(6) .
C2 C4 1.454(6) .
C3 C5 1.443(6) .
C6 H6 0.9300 .
C7 C8 1.372(6) .
C7 C9 1.438(6) .
C8 C10 1.449(6) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O2 H2A N8 0.875(19) 2.22(3) 2.971(5) 143(4) 5 yes
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
Zn1 N6 C4 N3 -168.4(4) .
Zn1 N6 C4 C2 10.0(9) .
Zn1 N7 N8 N9 -174.1(3) .
Zn1 N7 C5 N10 172.6(3) .
Zn1 N7 C5 C3 -3.7(8) .
Zn1 N12 C6 N11 161.4(3) 6
Zn1 N12 C7 C8 -162.1(3) 6
Zn1 N12 C7 C9 13.5(6) 6
Zn2 N1 C1 N2 157.1(3) 6_566
Zn2 N1 C2 C3 -159.6(3) 6_566
Zn2 N1 C2 C4 18.7(6) 6_566
Zn2 N16 C9 N13 -171.4(4) .
Zn2 N16 C9 C7 5.1(9) .
Zn2 N17 N18 N19 -176.4(3) .
Zn2 N17 C10 N20 175.6(3) .
Zn2 N17 C10 C8 -0.8(8) .
Zn3 N2 C1 N1 176.8(4) .
Zn3 N2 C3 C2 -177.5(3) .
Zn3 N2 C3 C5 8.5(5) .
Zn3 N10 C5 N7 174.6(3) .
Zn3 N10 C5 C3 -8.6(5) .
Zn3 N11 C6 N12 -168.9(4) .
Zn3 N11 C8 C7 172.0(3) .
Zn3 N11 C8 C10 0.0(5) .
Zn3 N20 C10 N17 177.5(3) .
Zn3 N20 C10 C8 -5.5(6) .
N1 C2 C3 N2 -0.6(6) .
N1 C2 C3 C5 171.6(5) .
N1 C2 C4 N3 1.1(8) .
N1 C2 C4 N6 -177.2(5) .
N2 C3 C5 N7 176.2(5) .
N2 C3 C5 N10 0.1(6) .
N3 N4 N5 N6 -0.9(7) .
N4 N3 C4 N6 0.3(7) .
N4 N3 C4 C2 -178.2(5) .
N4 N5 N6 Zn1 171.8(4) .
N4 N5 N6 C4 1.1(6) .
N5 N6 C4 N3 -0.8(6) .
N5 N6 C4 C2 177.6(5) .
N7 N8 N9 N10 0.6(5) .
N8 N7 C5 N10 0.2(5) .
N8 N7 C5 C3 -176.0(5) .
N8 N9 N10 Zn3 -172.7(4) .
N8 N9 N10 C5 -0.5(5) .
N9 N10 C5 N7 0.1(5) .
N9 N10 C5 C3 177.0(4) .
N11 C8 C10 N17 179.8(5) .
N11 C8 C10 N20 3.6(6) .
N12 C7 C8 N11 0.4(6) .
N12 C7 C8 C10 170.0(5) .
N12 C7 C9 N13 -4.5(7) .
N12 C7 C9 N16 179.4(5) .
N13 N14 N15 N16 -0.2(6) .
N14 N13 C9 N16 0.3(6) .
N14 N13 C9 C7 -176.4(5) .
N14 N15 N16 Zn2 173.6(3) .
N14 N15 N16 C9 0.4(6) .
N15 N16 C9 N13 -0.5(6) .
N15 N16 C9 C7 176.0(5) .
N17 N18 N19 N20 0.4(5) .
N18 N17 C10 N20 1.2(5) .
N18 N17 C10 C8 -175.3(5) .
N18 N19 N20 Zn3 -177.6(3) .
N18 N19 N20 C10 0.3(5) .
N19 N20 C10 N17 -0.9(5) .
N19 N20 C10 C8 176.1(4) .
C1 N1 C2 C3 0.5(5) .
C1 N1 C2 C4 178.7(4) .
C1 N2 C3 C2 0.4(5) .
C1 N2 C3 C5 -173.6(4) .
C2 N1 C1 N2 -0.2(6) .
C2 C3 C5 N7 4.3(10) .
C2 C3 C5 N10 -171.7(5) .
C3 N2 C1 N1 -0.1(6) .
C3 C2 C4 N3 178.9(5) .
C3 C2 C4 N6 0.6(10) .
C4 N3 N4 N5 0.4(7) .
C4 C2 C3 N2 -178.5(5) .
C4 C2 C3 C5 -6.3(10) .
C5 N7 N8 N9 -0.5(5) .
C6 N11 C8 C7 -0.1(5) .
C6 N11 C8 C10 -172.0(4) .
C6 N12 C7 C8 -0.6(5) .
C6 N12 C7 C9 175.0(4) .
C7 N12 C6 N11 0.6(6) .
C7 C8 C10 N17 10.6(10) .
C7 C8 C10 N20 -165.6(5) .
C8 N11 C6 N12 -0.3(6) .
C8 C7 C9 N13 169.8(5) .
C8 C7 C9 N16 -6.3(9) .
C9 N13 N14 N15 -0.1(6) .
C9 C7 C8 N11 -174.4(5) .
C9 C7 C8 C10 -4.8(10) .
C10 N17 N18 N19 -1.0(5) .
