#------------------------------------------------------------------------------
#$Date: 2015-07-10 23:50:55 +0300 (Fri, 10 Jul 2015) $
#$Revision: 143414 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/03/7220317.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_7220317
loop_
_publ_author_name
'Bai, Jie'
'Zhou, Hao-Long'
'Liao, Pei-Qin'
'Zhang, Wei-Xiong'
'Chen, Xiao-Ming'
_publ_section_title
;
 Structural diversity of coordination polymers controlled by the metal ion
 as the sole reaction variable
;
_journal_issue                   24
_journal_name_full               CrystEngComm
_journal_page_first              4462
_journal_paper_doi               10.1039/C5CE00349K
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         '0.5(C52 H29.96 N4 O8 Zn2)'
_chemical_formula_sum            'C26 H14.98 N2 O4 Zn'
_chemical_formula_weight         484.75
_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   geom
_audit_creation_date             2015-02-10
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-02-14 deposited with the CCDC.
2015-05-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.02(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.424(18)
_cell_length_b                   32.97(4)
_cell_length_c                   7.432(10)
_cell_measurement_temperature    123(2)
_cell_volume                     4022(9)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_diffrn_ambient_temperature      123
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.982
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0851
_diffrn_reflns_av_unetI/netI     0.0640
_diffrn_reflns_laue_measured_fraction_full 0.983
_diffrn_reflns_laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            14959
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        67.687
_diffrn_reflns_theta_max         68.138
_diffrn_reflns_theta_min         6.537
_exptl_absorpt_coefficient_mu    1.014
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_correction_T_min  0.751
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.801
_exptl_crystal_description       needle
_exptl_crystal_F_000             988
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.524
_refine_diff_density_min         -1.011
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_reflns         3610
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0689
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1396P)²+1.0220P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2051
_refine_ls_wR_factor_ref         0.2151
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3147
_reflns_number_total             3610
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ce00349k2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7220317--7220319.cif.'
_cod_original_cell_volume        4022(8)
_cod_database_code               7220317
_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   0.905
_shelx_estimated_absorpt_t_min   0.751
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C10) = Uanis(C9) = Uanis(N1) = Uanis(C13) = Uanis(C12) = Uanis(C11)
Uanis(C9') = Uanis(C10') = Uanis(C11') = Uanis(C12') = Uanis(C13') = Uanis(N1')
3. Others
 Sof(C10)=Sof(C9)=Sof(N1)=Sof(C13)=Sof(H13)=Sof(C12)=Sof(H12)=Sof(C11)=
 Sof(H11)=1-FVAR(1)
 Sof(C9')=Sof(C10')=Sof(H10')=Sof(C11')=Sof(H11')=Sof(C12')=Sof(H12')=
 Sof(C13')=Sof(H13')=Sof(N1')=FVAR(1)
 Sof(O2)=Sof(C2)=Sof(C3)=Sof(H3)=Sof(C4)=Sof(H4)=Sof(C5)=Sof(C6)=Sof(H6)=
 Sof(C7)=Sof(H7)=Sof(C1)=Sof(C8)=1-FVAR(2)
 Sof(C2')=Sof(C7')=Sof(H7')=Sof(C6')=Sof(H6')=Sof(C5')=Sof(C4')=Sof(H4')=
 Sof(C3')=Sof(H3')=Sof(C8')=Sof(O2')=Sof(C1')=FVAR(2)
4.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C7'(H7'), C6'(H6'), C4'(H4'), C3'(H3'),
 C13(H13), C12(H12), C11(H11), C10'(H10'), C11'(H11'), C12'(H12'), C13'(H13')
4.b Fitted hexagon refined as free rotating group:
 C2(C3,C4,C5,C6,C7), C2'(C7',C6',C5',C4',C3'), C10(C9,N1,C13,C12,C11),
 C9'(C10',C11',C12',C13',N1')
;
_shelx_shelxl_version_number     2014/7
_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_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.5000 0.59152(2) 0.2500 0.0455(3) Uani 1 2 d S T P A .
O1 O 0.46716(14) 0.61159(6) 0.4944(3) 0.0516(5) Uani 1 1 d . . . . .
O2 O 0.4016(9) 0.6426(3) 0.2822(18) 0.068(3) Uani 0.545(8) 1 d . . . A 3
C2 C 0.3871(5) 0.66720(16) 0.5814(6) 0.061(2) Uani 0.545(8) 1 d . . . A 3
C3 C 0.3938(5) 0.65821(16) 0.7641(7) 0.0512(19) Uani 0.545(8) 1 d G . . A 3
H3 H 0.4185 0.6335 0.8033 0.061 Uiso 0.545(8) 1 calc R . . A 3
C4 C 0.3643(4) 0.68532(18) 0.8894(5) 0.066(3) Uani 0.545(8) 1 d G . . A 3
H4 H 0.3689 0.6792 1.0143 0.079 Uiso 0.545(8) 1 calc R . . A 3
C5 C 0.3282(5) 0.72142(18) 0.8321(5) 0.075(3) Uani 0.545(8) 1 d G . . A 3
C6 C 0.3216(6) 0.73040(19) 0.6494(5) 0.111(5) Uani 0.545(8) 1 d G . . A 3
H6 H 0.2969 0.7551 0.6102 0.133 Uiso 0.545(8) 1 calc R . . A 3
C7 C 0.3510(6) 0.70329(19) 0.5241(4) 0.107(4) Uani 0.545(8) 1 d G . . A 3
H7 H 0.3465 0.7094 0.3992 0.128 Uiso 0.545(8) 1 calc R . . A 3
C1 C 0.4230(10) 0.6360(5) 0.453(2) 0.057(4) Uani 0.545(8) 1 d . . . A 3
C2' C 0.3530(4) 0.65408(17) 0.5653(7) 0.050(2) Uani 0.455(8) 1 d . . . A 4
C7' C 0.2920(4) 0.68073(19) 0.5072(5) 0.067(3) Uani 0.455(8) 1 d G . . A 4
H7' H 0.2778 0.6829 0.3825 0.080 Uiso 0.455(8) 1 calc R . . A 4
C6' C 0.2518(5) 0.7042(2) 0.6315(6) 0.083(4) Uani 0.455(8) 1 d G . . A 4
H6' H 0.2101 0.7224 0.5918 0.100 Uiso 0.455(8) 1 calc R . . A 4
C5' C 0.2725(4) 0.70102(19) 0.8139(5) 0.061(2) Uani 0.455(8) 1 d G . . A 4
C4' C 0.3336(5) 0.6744(2) 0.8720(5) 0.058(3) Uani 0.455(8) 1 d G . . A 4
H4' H 0.3477 0.6722 0.9966 0.069 Uiso 0.455(8) 1 calc R . . A 4
C3' C 0.3738(4) 0.65090(19) 0.7477(8) 0.054(3) Uani 0.455(8) 1 d G . . A 4
H3' H 0.4155 0.6327 0.7874 0.065 Uiso 0.455(8) 1 calc R . . A 4
C10 C 0.5637(3) 0.46771(10) 0.2989(6) 0.0596(12) Uani 0.509(9) 1 d . . . A 2
C9 C 0.5256(3) 0.50488(13) 0.2692(7) 0.0596(12) Uani 0.509(9) 1 d G . . A 2
N1 N 0.5668(3) 0.54066(10) 0.3114(7) 0.0596(12) Uani 0.509(9) 1 d G . . A 2
C13 C 0.6460(3) 0.53926(11) 0.3833(6) 0.0596(12) Uani 0.509(9) 1 d G . . A 2
H13 H 0.6742 0.5637 0.4122 0.072 Uiso 0.509(9) 1 calc R . . A 2
C12 C 0.6841(3) 0.50209(15) 0.4130(5) 0.0596(12) Uani 0.509(9) 1 d G . . A 2
H12 H 0.7383 0.5011 0.4622 0.072 Uiso 0.509(9) 1 calc R . . A 2
C11 C 0.6430(3) 0.46631(11) 0.3708(6) 0.0596(12) Uani 0.509(9) 1 d G . . A 2
H11 H 0.6690 0.4409 0.3911 0.072 Uiso 0.509(9) 1 calc R . . A 2
C8' C 0.2345(7) 0.7279(3) 0.9391(10) 0.074(3) Uani 0.455(8) 1 d . . . A 4
C8 C 0.2954(7) 0.7491(3) 0.9598(10) 0.086(3) Uani 0.545(8) 1 d . . . A 3
O2' O 0.3795(13) 0.6309(4) 0.263(2) 0.077(4) Uani 0.455(8) 1 d . . . A 4
C1' C 0.4013(11) 0.6335(5) 0.421(3) 0.053(4) Uani 0.455(8) 1 d . . . A 4
C9' C 0.5551(3) 0.50700(14) 0.3060(7) 0.0584(12) Uani 0.491(9) 1 d . . . A 1
C10' C 0.6049(3) 0.47451(10) 0.3560(7) 0.0584(12) Uani 0.491(9) 1 d G . . A 1
H10' H 0.5848 0.4476 0.3452 0.070 Uiso 0.491(9) 1 calc R . . A 1
C11' C 0.6839(3) 0.48144(14) 0.4219(7) 0.0584(12) Uani 0.491(9) 1 d G . . A 1
H11' H 0.7179 0.4592 0.4561 0.070 Uiso 0.491(9) 1 calc R . . A 1
C12' C 0.7132(2) 0.52088(17) 0.4377(6) 0.0584(12) Uani 0.491(9) 1 d G . . A 1
H12' H 0.7672 0.5256 0.4828 0.070 Uiso 0.491(9) 1 calc R . . A 1
C13' C 0.6635(3) 0.55338(12) 0.3877(7) 0.0584(12) Uani 0.491(9) 1 d G . . A 1
H13' H 0.6835 0.5803 0.3985 0.070 Uiso 0.491(9) 1 calc R . . A 1
N1' N 0.5844(3) 0.54644(12) 0.3218(8) 0.0584(12) Uani 0.491(9) 1 d G . . A 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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 O1 141.84(13) 2_655 .
O1 Zn1 O2 93.6(4) . 2_655
O1 Zn1 O2 93.6(4) 2_655 .
O1 Zn1 O2 57.9(3) 2_655 2_655
O1 Zn1 O2 57.9(3) . .
O1 Zn1 C1 120.6(4) . 2_655
O1 Zn1 C1 26.4(3) 2_655 2_655
O1 Zn1 C1 26.4(3) . .
O1 Zn1 C1 120.6(4) 2_655 .
O1 Zn1 N1 103.03(17) . .
O1 Zn1 N1 108.07(17) 2_655 .
O1 Zn1 N1 103.0(3) 2_655 2_655
O1 Zn1 N1 108.1(3) . 2_655
O1 Zn1 O2' 62.2(4) . .
O1 Zn1 O2' 62.2(4) 2_655 2_655
O1 Zn1 O2' 96.2(5) 2_655 .
O1 Zn1 O2' 96.2(5) . 2_655
O1 Zn1 N1' 101.5(3) 2_655 2_655
O1 Zn1 N1' 105.44(18) 2_655 .
O1 Zn1 N1' 105.4(3) . 2_655
O1 Zn1 N1' 101.47(19) . .
O2 Zn1 O2 88.5(6) 2_655 .
O2 Zn1 C1 90.3(5) 2_655 .
O2 Zn1 C1 31.6(5) 2_655 2_655
O2 Zn1 C1 31.6(5) . .
O2 Zn1 C1 90.3(5) . 2_655
C1 Zn1 C1 107.5(8) 2_655 .
N1 Zn1 N1 70.0(4) . 2_655
O2' Zn1 O2' 113.6(7) 2_655 .
N1' Zn1 N1' 89.3(4) . 2_655
C1 O1 Zn1 100.2(8) . .
C1' O1 Zn1 92.7(8) . .
C1 O2 Zn1 79.6(10) . .
C3 C2 C7 120.0 . .
C3 C2 C1 116.6(6) . .
C7 C2 C1 123.4(6) . .
C2 C3 H3 120.0 . .
C2 C3 C4 120.0 . .
C4 C3 H3 120.0 . .
C3 C4 H4 120.0 . .
C5 C4 C3 120.0 . .
C5 C4 H4 120.0 . .
C4 C5 C6 120.0 . .
C4 C5 C8 120.5(4) . .
C6 C5 C8 119.5(4) . .
C5 C6 H6 120.0 . .
C5 C6 C7 120.0 . .
C7 C6 H6 120.0 . .
C2 C7 H7 120.0 . .
C6 C7 C2 120.0 . .
C6 C7 H7 120.0 . .
O1 C1 Zn1 53.4(7) . .
O1 C1 O2 122.1(15) . .
O1 C1 C2 124.5(11) . .
O2 C1 Zn1 68.9(9) . .
O2 C1 C2 113.1(13) . .
C2 C1 Zn1 171.5(10) . .
C7' C2' C3' 120.0 . .
C7' C2' C1' 117.0(7) . .
C3' C2' C1' 122.6(7) . .
C2' C7' H7' 120.0 . .
C2' C7' C6' 120.0 . .
C6' C7' H7' 120.0 . .
C7' C6' H6' 120.0 . .
C5' C6' C7' 120.0 . .
C5' C6' H6' 120.0 . .
C6' C5' C4' 120.0 . .
C6' C5' C8' 119.1(4) . .
C4' C5' C8' 120.7(4) . .
C5' C4' H4' 120.0 . .
C5' C4' C3' 120.0 . .
C3' C4' H4' 120.0 . .
C2' C3' H3' 120.0 . .
C4' C3' C2' 120.0 . .
C4' C3' H3' 120.0 . .
C9 C10 C9 23.26(16) . 2_655
C9 C10 C11 120.0 . .
C11 C10 C9 143.17(17) . 2_655
C10 C9 C10 79.5(3) . 2_655
C9 C9 C10 118.1 2_655 .
C9 C9 C10 38.6(3) 2_655 2_655
C9 C9 N1 121.72(8) 2_655 .
N1 C9 C10 160.1(3) . 2_655
N1 C9 C10 120.0 . .
C9 N1 Zn1 113.1(3) . .
C9 N1 C13 120.0 . .
C13 N1 Zn1 126.9(3) . .
N1 C13 H13 120.0 . .
N1 C13 C12 120.0 . .
C12 C13 H13 120.0 . .
C13 C12 H12 120.0 . .
C11 C12 C13 120.0 . .
C11 C12 H12 120.0 . .
C10 C11 H11 120.0 . .
C12 C11 C10 120.0 . .
C12 C11 H11 120.0 . .
C5' C8' C8' 135.0(12) . 7_567
C5 C8 C8 129.5(12) . 7_567
C1' O2' Zn1 82.0(13) . .
O1 C1' Zn1 53.6(6) . .
O1 C1' C2' 112.0(14) . .
C2' C1' Zn1 165.5(11) . .
O2' C1' Zn1 69.3(13) . .
O2' C1' O1 122.5(16) . .
O2' C1' C2' 124.6(16) . .
C10' C9' C9' 129.57(17) . 2_655
C10' C9' N1' 120.0 . .
N1' C9' C9' 110.30(17) . 2_655
C9' C10' H10' 120.0 . .
C9' C10' C11' 120.0 . .
C11' C10' H10' 120.0 . .
C10' C11' H11' 120.0 . .
C12' C11' C10' 120.0 . .
C12' C11' H11' 120.0 . .
C11' C12' H12' 120.0 . .
C11' C12' C13' 120.0 . .
C13' C12' H12' 120.0 . .
C12' C13' H13' 120.0 . .
N1' C13' C12' 120.0 . .
N1' C13' H13' 120.0 . .
C9' N1' Zn1 114.8(3) . .
C13' N1' Zn1 125.2(3) . .
C13' N1' C9' 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 2.024(3) 2_655
Zn1 O1 2.024(3) .
Zn1 O2 2.353(13) 2_655
Zn1 O2 2.353(13) .
Zn1 C1 2.481(17) 2_655
Zn1 C1 2.481(17) .
Zn1 N1 2.047(3) .
Zn1 N1 2.047(6) 2_655
Zn1 O2' 2.37(2) 2_655
Zn1 O2' 2.37(2) .
Zn1 N1' 2.089(7) 2_655
Zn1 N1' 2.089(3) .
O1 C1 1.121(16) .
O1 C1' 1.395(15) .
O2 C1 1.32(2) .
C2 C3 1.3900 .
C2 C7 1.3900 .
C2 C1 1.536(17) .
C3 H3 0.9500 .
C3 C4 1.3900 .
C4 H4 0.9500 .
C4 C5 1.3900 .
C5 C6 1.3900 .
C5 C8 1.436(7) .
C6 H6 0.9500 .
C6 C7 1.3900 .
C7 H7 0.9500 .
C2' C7' 1.3900 .
C2' C3' 1.3900 .
C2' C1' 1.514(19) .
C7' H7' 0.9500 .
C7' C6' 1.3900 .
C6' H6' 0.9500 .
C6' C5' 1.3900 .
C5' C4' 1.3900 .
C5' C8' 1.443(8) .
C4' H4' 0.9500 .
C4' C3' 1.3900 .
C3' H3' 0.9500 .
C10 C9 1.3900 .
C10 C9 1.965(7) 2_655
C10 C11 1.3900 .
C9 C10 1.965(7) 2_655
C9 C9 0.880(9) 2_655
C9 N1 1.3900 .
N1 C13 1.3900 .
C13 H13 0.9500 .
C13 C12 1.3900 .
C12 H12 0.9500 .
C12 C11 1.3900 .
C11 H11 0.9500 .
C8' C8' 1.78(2) 7_567
C8 C8 1.63(2) 7_567
O2' C1' 1.22(3) .
C9' C9' 1.966(9) 2_655
C9' C10' 1.3900 .
C9' N1' 1.3900 .
C10' H10' 0.9500 .
C10' C11' 1.3900 .
C11' H11' 0.9500 .
C11' C12' 1.3900 .
C12' H12' 0.9500 .
C12' C13' 1.3900 .
C13' H13' 0.9500 .
C13' N1' 1.3900 .
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
Zn1 O1 C1 O2 4.7(16) . .
Zn1 O1 C1 C2 -169.8(12) . .
Zn1 O1 C1' C2' 177.9(11) . .
Zn1 O1 C1' O2' 8.2(19) . .
Zn1 O2 C1 O1 -4.1(14) . .
Zn1 O2 C1 C2 171.0(11) . .
Zn1 N1 C13 C12 -178.2(4) . .
Zn1 O2' C1' O1 -7.0(16) . .
Zn1 O2' C1' C2' -175.4(17) . .
C2 C3 C4 C5 0.0 . .
C3 C2 C7 C6 0.0 . .
C3 C2 C1 O1 -16.8(18) . .
C3 C2 C1 O2 168.3(10) . .
C3 C4 C5 C6 0.0 . .
C3 C4 C5 C8 178.2(8) . .
C4 C5 C6 C7 0.0 . .
C4 C5 C8 C8 -88.5(10) . 7_567
C5 C6 C7 C2 0.0 . .
C6 C5 C8 C8 89.7(11) . 7_567
C7 C2 C3 C4 0.0 . .
C7 C2 C1 O1 161.8(11) . .
C7 C2 C1 O2 -13.1(16) . .
C1 C2 C3 C4 178.7(9) . .
C1 C2 C7 C6 -178.6(9) . .
C2' C7' C6' C5' 0.0 . .
C7' C2' C3' C4' 0.0 . .
C7' C2' C1' Zn1 179(100) . .
C7' C2' C1' O1 172.4(8) . .
C7' C2' C1' O2' -18(2) . .
C7' C6' C5' C4' 0.0 . .
C7' C6' C5' C8' 175.3(8) . .
C6' C5' C4' C3' 0.0 . .
C6' C5' C8' C8' -103.6(10) . 7_567
C5' C4' C3' C2' 0.0 . .
C4' C5' C8' C8' 71.7(12) . 7_567
C3' C2' C7' C6' 0.0 . .
C3' C2' C1' Zn1 7(5) . .
C3' C2' C1' O1 0.2(17) . .
C3' C2' C1' O2' 169.6(14) . .
C10 C9 N1 Zn1 178.4(3) . .
C10 C9 N1 Zn1 -12.5(11) 2_655 .
C10 C9 N1 C13 169.1(11) 2_655 .
C10 C9 N1 C13 0.0 . .
C9 C10 C9 C10 -0.5(8) 2_655 2_655
C9 C10 C9 N1 175.7(11) 2_655 .
C9 C10 C11 C12 -2.8(7) 2_655 .
C9 C10 C11 C12 0.0 . .
C9 C9 N1 Zn1 -6.0(9) 2_655 .
C9 C9 N1 C13 175.6(11) 2_655 .
C9 N1 C13 C12 0.0 . .
N1 C13 C12 C11 0.0 . .
C13 C12 C11 C10 0.0 . .
C11 C10 C9 C10 -176.2(4) . 2_655
C11 C10 C9 C9 -175.7(11) . 2_655
C11 C10 C9 N1 0.0 . .
C8' C5' C4' C3' -175.2(8) . .
C8 C5 C6 C7 -178.2(8) . .
C1' C2' C7' C6' -172.5(9) . .
C1' C2' C3' C4' 172.0(10) . .
C9' C9' C10' C11' 175.3(6) 2_655 .
C9' C9' N1' Zn1 6.1(3) 2_655 .
C9' C9' N1' C13' -176.1(5) 2_655 .
C9' C10' C11' C12' 0.0 . .
C10' C9' N1' Zn1 -177.7(4) . .
C10' C9' N1' C13' 0.0 . .
C10' C11' C12' C13' 0.0 . .
C11' C12' C13' N1' 0.0 . .
C12' C13' N1' Zn1 177.5(4) . .
C12' C13' N1' C9' 0.0 . .
N1' C9' C10' C11' 0.0 . .
