#------------------------------------------------------------------------------
#$Date: 2018-11-23 05:40:55 +0200 (Fri, 23 Nov 2018) $
#$Revision: 212132 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/13/2021377.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2021377
loop_
_publ_author_name
'Mao, Yimin'
'Zavalij, Peter Y.'
_publ_section_title
;
 Two- and three-dimensional coordination polymers based on zinc(II) and
 furan-2,5-dicarboxylic acid: structure variation due to metal-to-linker
 ratio
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229618015759
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          '(C2 H8 N)2 [Zn2 (C6 H2 O5)4], 3.08C3 H7 N O'
_chemical_formula_moiety         'Zn3 (C6 H2 O5)4 (C2 H8 N)2, 3.08(C3 H7 N O)'
_chemical_formula_sum            'C37.25 H45.6 N5.1 O23.1 Zn3'
_chemical_formula_weight         1130.50
_chemical_name_systematic
;Poly[bis(dimethylazanium) [bis(μ₄-furan-2,5-dicarboxylato-κO²:κO^2'^:κO⁵:κO⁵)bis(μ₃-furan-2,5-dicarboxylato-κO²:κO^2'^:κO⁵)dizinc(II)]
dimethylformamide 3.08-solvate]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXL-2014 & ZCIF'
_cell_angle_alpha                90
_cell_angle_beta                 96.4221(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.2803(3)
_cell_length_b                   15.1916(5)
_cell_length_c                   17.7731(6)
_cell_measurement_reflns_used    17707
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.7
_cell_measurement_theta_min      2.2
_cell_volume                     2489.97(14)
_computing_cell_refinement
;
SAINT (Bruker, 2010)
;
_computing_data_collection
;
APRX2 (Bruker, 2010)
;
_computing_data_reduction
;
SAINT (Bruker, 2010)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009), Mercury (Macrae et al.,
2008)
and
VESTA (Momma & Izumi, 2011)
;
_computing_publication_material
;
APEX2 (Bruker, 2010), SHELXL2014 (Sheldrick, 2015b),
PLATON (Spek, 2009) and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_measurement_specimen_support 'MiTeGen loop'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0208
_diffrn_reflns_av_unetI/netI     0.0165
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            41068
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.998
_diffrn_reflns_theta_min         1.768
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.517
_exptl_absorpt_correction_T_max  0.796
_exptl_absorpt_correction_T_min  0.605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al., 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1159
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.755
_refine_diff_density_min         -1.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         7255
_refine_ls_number_restraints     121
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0522
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0119P)²+11.1698P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1131
_refine_ls_wR_factor_ref         0.1148
_reflns_number_gt                6472
_reflns_number_total             7255
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ov3119sup1.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C37.25 H45.60 N5.10 O23.10 Zn3'
_cod_database_code               2021377
_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_min   0.634
_shelx_estimated_absorpt_t_max   0.804
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn Zn1 0.500000 0.500000 1.000000 0.02270(11) Uani d 1 . .
Zn Zn2 0.42599(3) 0.61076(2) 0.83985(2) 0.02074(8) Uani d 1 . .
O O1A 0.3026(2) 0.46504(15) 0.94902(13) 0.0281(5) Uani d 1 . .
O O2A 0.2326(2) 0.57061(16) 0.86327(12) 0.0285(5) Uani d 1 . .
C C3A 0.2101(3) 0.5076(2) 0.90644(16) 0.0240(6) Uani d 1 . .
C C4A 0.0572(3) 0.4795(2) 0.90756(16) 0.0241(6) Uani d 1 . .
C C5A -0.0023(3) 0.4055(2) 0.93325(19) 0.0293(6) Uani d 1 . .
H H5A 0.047939 0.355376 0.954731 0.035 Uiso calc 1 . .
C C6A -0.1553(3) 0.4177(2) 0.92162(18) 0.0285(6) Uani d 1 . .
H H6A -0.227587 0.377337 0.933539 0.034 Uiso calc 1 . .
O O8A -0.0480(2) 0.53740(15) 0.87952(11) 0.0236(4) Uani d 1 . .
C C9A -0.3087(3) 0.5513(2) 0.86701(16) 0.0235(5) Uani d 1 . .
C C7A -0.1772(3) 0.4985(2) 0.89015(16) 0.0231(5) Uani d 1 . .
O O10A -0.4299(2) 0.52153(15) 0.88787(12) 0.0241(4) Uani d 1 . .
O O11A -0.3037(2) 0.61822(17) 0.82919(13) 0.0323(5) Uani d 1 . .
O O1B 0.3871(4) 0.5295(2) 0.71541(18) 0.0609(9) Uani d 1 . .
O O2B 0.4031(3) 0.6704(2) 0.73894(13) 0.0434(7) Uani d 1 . .
C C3B 0.3940(4) 0.6060(3) 0.69386(19) 0.0401(9) Uani d 1 . .
C C4B 0.3949(4) 0.6244(2) 0.61219(18) 0.0317(7) Uani d 1 . .
C C5B 0.3848(5) 0.5702(3) 0.5522(2) 0.0412(8) Uani d 1 . .
H H5B 0.370363 0.508294 0.552333 0.049 Uiso calc 1 . .
C C6B 0.4002(5) 0.6242(2) 0.48841(19) 0.0390(8) Uani d 1 . .
H H6B 0.397570 0.605338 0.437309 0.047 Uiso calc 1 . .
C C7B 0.4194(3) 0.7075(2) 0.51421(16) 0.0268(6) Uani d 1 . .
O O8B 0.4160(2) 0.70942(16) 0.59083(11) 0.0272(4) Uani d 1 . .
C C9B 0.4401(3) 0.7915(2) 0.47440(16) 0.0241(5) Uani d 1 . .
O O10B 0.4452(3) 0.78259(15) 0.40358(12) 0.0296(5) Uani d 1 . .
O O11B 0.4473(2) 0.86162(15) 0.51109(12) 0.0262(4) Uani d 1 . .
C C1C 0.6353(7) 0.8458(5) 0.7049(4) 0.0629(17) Uani d 0.776(7) A 1
H H1C1 0.574893 0.841455 0.656112 0.094 Uiso calc 0.776(7) A 1
H H1C2 0.713651 0.802335 0.706710 0.094 Uiso calc 0.776(7) A 1
H H1C3 0.676770 0.905024 0.710651 0.094 Uiso calc 0.776(7) A 1
C C2C 0.3980(7) 0.8689(4) 0.7584(4) 0.0643(18) Uani d 0.776(7) A 1
H H2C1 0.404820 0.931417 0.772102 0.096 Uiso calc 0.776(7) A 1
H H2C2 0.340689 0.837935 0.793168 0.096 Uiso calc 0.776(7) A 1
H H2C3 0.351019 0.862963 0.706472 0.096 Uiso calc 0.776(7) A 1
N N1C 0.5499(8) 0.8293(5) 0.7638(5) 0.0759(18) Uani d 0.776(7) A 1
H H1C4 0.599909 0.848799 0.807604 0.091 Uiso calc 0.776(7) A 1
H H1C5 0.540948 0.769899 0.768106 0.091 Uiso calc 0.776(7) A 1
C C1D 0.663(2) 0.8323(12) 0.8278(11) 0.047(4) Uani d 0.224(7) A 2
H H1D1 0.701489 0.777449 0.809192 0.071 Uiso calc 0.224(7) A 2
H H1D2 0.647396 0.825368 0.881147 0.071 Uiso calc 0.224(7) A 2
H H1D3 0.731375 0.880291 0.822767 0.071 Uiso calc 0.224(7) A 2
C C2D 0.513(3) 0.8508(15) 0.6928(12) 0.064(4) Uani d 0.224(7) A 2
H H2D1 0.506217 0.911345 0.673617 0.096 Uiso calc 0.224(7) A 2
H H2D2 0.425525 0.818249 0.673642 0.096 Uiso calc 0.224(7) A 2
H H2D3 0.598233 0.822119 0.675607 0.096 Uiso calc 0.224(7) A 2
N N1D 0.529(3) 0.852(2) 0.7848(15) 0.0759(18) Uani d 0.224(7) A 2
H H1D4 0.502397 0.906770 0.799058 0.091 Uiso calc 0.224(7) A 2
H H1D5 0.462158 0.813818 0.799551 0.091 Uiso calc 0.224(7) A 2
C C1E 0.9981(9) 0.8863(6) 0.9853(5) 0.083(3) Uani d 0.731(6) B 1
H H1E1 1.056307 0.868246 1.032142 0.125 Uiso calc 0.731(6) B 1
H H1E2 0.913595 0.919788 0.997668 0.125 Uiso calc 0.731(6) B 1
H H1E3 1.056963 0.923268 0.955397 0.125 Uiso calc 0.731(6) B 1
C C2E 1.0522(9) 0.7540(5) 0.9148(5) 0.080(3) Uani d 0.731(6) B 1
H H2E1 1.106458 0.786446 0.879548 0.120 Uiso calc 0.731(6) B 1
H H2E2 1.001875 0.704224 0.888397 0.120 Uiso calc 0.731(6) B 1
H H2E3 1.119335 0.732054 0.957122 0.120 Uiso calc 0.731(6) B 1
N N1E 0.9505(6) 0.8100(4) 0.9424(4) 0.0672(19) Uani d 0.731(6) B 1
C C3E 0.8234(8) 0.8076(5) 0.9054(6) 0.080(3) Uani d 0.731(6) B 1
H H3D 0.803362 0.757231 0.874286 0.096 Uiso calc 0.731(6) B 1
O O1E 0.7253(6) 0.8607(4) 0.9045(5) 0.101(2) Uani d 0.731(6) B 1
C C1F 0.7740(8) 0.9140(9) 0.1494(6) 0.162(5) Uani d 0.811(6) C 2
H H1F1 0.770899 0.897919 0.095837 0.244 Uiso calc 0.811(6) C 2
H H1F2 0.730440 0.972246 0.153730 0.244 Uiso calc 0.811(6) C 2
H H1F3 0.719683 0.870457 0.175613 0.244 Uiso calc 0.811(6) C 2
C C2F 0.9906(8) 0.8380(6) 0.2079(5) 0.097(3) Uani d 0.811(6) C 2
H H2F1 1.080393 0.852086 0.240084 0.145 Uiso calc 0.811(6) C 2
H H2F2 1.013422 0.803594 0.164185 0.145 Uiso calc 0.811(6) C 2
H H2F3 0.926612 0.803778 0.237081 0.145 Uiso calc 0.811(6) C 2
N N1F 0.9213(6) 0.9158(6) 0.1830(4) 0.097(2) Uani d 0.811(6) C 2
C C3F 0.9796(12) 0.9914(7) 0.2006(5) 0.111(3) Uani d 0.811(6) C 2
H H3F 1.076886 0.989030 0.223786 0.133 Uiso calc 0.811(6) C 2
O O1F 0.9289(12) 1.0651(6) 0.1920(6) 0.179(4) Uani d 0.811(6) C 2
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1A Zn1 O1A 3_667 . 180.0
O1A Zn1 O11B 3_667 4_576 84.67(9)
O1A Zn1 O11B . 4_576 95.33(9)
O1A Zn1 O11B 3_667 2_646 95.33(9)
O1A Zn1 O11B . 2_646 84.67(9)
O11B Zn1 O11B 4_576 2_646 180.0
O1A Zn1 O10A 3_667 1_655 91.28(8)
O1A Zn1 O10A . 1_655 88.72(8)
O11B Zn1 O10A 4_576 1_655 91.77(8)
O11B Zn1 O10A 2_646 1_655 88.23(8)
O1A Zn1 O10A 3_667 3_567 88.72(8)
O1A Zn1 O10A . 3_567 91.28(8)
O11B Zn1 O10A 4_576 3_567 88.23(8)
O11B Zn1 O10A 2_646 3_567 91.77(8)
O10A Zn1 O10A 1_655 3_567 180.0
O10B Zn2 O2A 4_576 . 99.09(10)
O10B Zn2 O2B 4_576 . 97.84(11)
O2A Zn2 O2B . . 108.65(10)
O10B Zn2 O10A 4_576 1_655 107.14(9)
O2A Zn2 O10A . 1_655 106.03(9)
O2B Zn2 O10A . 1_655 132.89(10)
C3A O1A Zn1 . . 131.1(2)
C3A O2A Zn2 . . 125.26(19)
O1A C3A O2A . . 127.5(3)
O1A C3A C4A . . 115.7(3)
O2A C3A C4A . . 116.8(3)
C5A C4A O8A . . 110.8(2)
C5A C4A C3A . . 132.1(3)
O8A C4A C3A . . 117.1(3)
C4A C5A C6A . . 106.3(3)
C4A C5A H5A . . 126.9
C6A C5A H5A . . 126.9
C7A C6A C5A . . 106.2(3)
C7A C6A H6A . . 126.9
C5A C6A H6A . . 126.9
C4A O8A C7A . . 105.9(2)
O11A C9A O10A . . 122.2(3)
O11A C9A C7A . . 121.5(3)
O10A C9A C7A . . 116.4(3)
C6A C7A O8A . . 110.8(2)
C6A C7A C9A . . 133.4(3)
O8A C7A C9A . . 115.9(3)
C9A O10A Zn2 . 1_455 101.42(18)
C9A O10A Zn1 . 1_455 131.61(18)
Zn2 O10A Zn1 1_455 1_455 103.56(9)
C3B O2B Zn2 . . 102.2(2)
O1B C3B O2B . . 122.6(3)
O1B C3B C4B . . 119.4(4)
O2B C3B C4B . . 118.0(4)
C5B C4B O8B . . 111.0(3)
C5B C4B C3B . . 131.0(4)
O8B C4B C3B . . 117.9(3)
C4B C5B C6B . . 106.0(3)
C4B C5B H5B . . 127.0
C6B C5B H5B . . 127.0
C7B C6B C5B . . 107.0(3)
C7B C6B H6B . . 126.5
C5B C6B H6B . . 126.5
C6B C7B O8B . . 109.9(3)
C6B C7B C9B . . 131.6(3)
O8B C7B C9B . . 118.5(3)
C4B O8B C7B . . 106.1(3)
O11B C9B O10B . . 127.0(3)
O11B C9B C7B . . 119.2(3)
O10B C9B C7B . . 113.7(3)
C9B O10B Zn2 . 4_575 118.0(2)
C9B O11B Zn1 . 2_656 141.2(2)
N1C C1C H1C1 . . 109.5
N1C C1C H1C2 . . 109.5
H1C1 C1C H1C2 . . 109.5
N1C C1C H1C3 . . 109.5
H1C1 C1C H1C3 . . 109.5
H1C2 C1C H1C3 . . 109.5
N1C C2C H2C1 . . 109.5
N1C C2C H2C2 . . 109.5
H2C1 C2C H2C2 . . 109.5
N1C C2C H2C3 . . 109.5
H2C1 C2C H2C3 . . 109.5
H2C2 C2C H2C3 . . 109.5
C1C N1C C2C . . 118.5(7)
C1C N1C H1C4 . . 107.7
C2C N1C H1C4 . . 107.7
C1C N1C H1C5 . . 107.7
C2C N1C H1C5 . . 107.7
H1C4 N1C H1C5 . . 107.1
N1D C1D H1D1 . . 109.5
N1D C1D H1D2 . . 109.5
H1D1 C1D H1D2 . . 109.5
N1D C1D H1D3 . . 109.5
H1D1 C1D H1D3 . . 109.5
H1D2 C1D H1D3 . . 109.5
N1D C2D H2D1 . . 109.5
N1D C2D H2D2 . . 109.5
H2D1 C2D H2D2 . . 109.5
N1D C2D H2D3 . . 109.5
H2D1 C2D H2D3 . . 109.5
H2D2 C2D H2D3 . . 109.5
C1D N1D C2D . . 121(2)
C1D N1D H1D4 . . 107.1
C2D N1D H1D4 . . 107.1
C1D N1D H1D5 . . 107.1
C2D N1D H1D5 . . 107.1
H1D4 N1D H1D5 . . 106.8
N1E C1E H1E1 . . 109.5
N1E C1E H1E2 . . 109.5
H1E1 C1E H1E2 . . 109.5
N1E C1E H1E3 . . 109.5
H1E1 C1E H1E3 . . 109.5
H1E2 C1E H1E3 . . 109.5
N1E C2E H2E1 . . 109.5
N1E C2E H2E2 . . 109.5
H2E1 C2E H2E2 . . 109.5
N1E C2E H2E3 . . 109.5
H2E1 C2E H2E3 . . 109.5
H2E2 C2E H2E3 . . 109.5
C3E N1E C2E . . 114.8(7)
C3E N1E C1E . . 120.4(6)
C2E N1E C1E . . 120.0(6)
O1E C3E N1E . . 129.1(8)
O1E C3E H3D . . 115.4
N1E C3E H3D . . 115.4
N1F C1F H1F1 . . 109.5
N1F C1F H1F2 . . 109.5
H1F1 C1F H1F2 . . 109.5
N1F C1F H1F3 . . 109.5
H1F1 C1F H1F3 . . 109.5
H1F2 C1F H1F3 . . 109.5
N1F C2F H2F1 . . 109.5
N1F C2F H2F2 . . 109.5
H2F1 C2F H2F2 . . 109.5
N1F C2F H2F3 . . 109.5
H2F1 C2F H2F3 . . 109.5
H2F2 C2F H2F3 . . 109.5
C3F N1F C2F . . 120.7(7)
C3F N1F C1F . . 118.3(9)
C2F N1F C1F . . 120.1(8)
O1F C3F N1F . . 129.9(11)
O1F C3F H3F . . 115.1
N1F C3F H3F . . 115.1
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Zn1 O1A 3_667 2.022(2)
Zn1 O1A . 2.022(2)
Zn1 O11B 4_576 2.172(2)
Zn1 O11B 2_646 2.172(2)
Zn1 O10A 1_655 2.189(2)
Zn1 O10A 3_567 2.189(2)
Zn2 O10B 4_576 1.973(2)
Zn2 O2A . 1.984(2)
Zn2 O2B . 2.000(2)
Zn2 O10A 1_655 2.024(2)
O1A C3A . 1.258(4)
O2A C3A . 1.259(4)
C3A C4A . 1.484(4)
C4A C5A . 1.355(4)
C4A O8A . 1.366(3)
C5A C6A . 1.424(4)
C5A H5A . 0.9500
C6A C7A . 1.355(5)
C6A H6A . 0.9500
O8A C7A . 1.369(3)
C9A O11A . 1.222(4)
C9A O10A . 1.304(3)
C9A C7A . 1.479(4)
O1B C3B . 1.228(5)
O2B C3B . 1.261(5)
C3B C4B . 1.479(4)
C4B C5B . 1.343(5)
C4B O8B . 1.366(4)
C5B C6B . 1.419(5)
C5B H5B . 0.9500
C6B C7B . 1.351(5)
C6B H6B . 0.9500
C7B O8B . 1.366(3)
C7B C9B . 1.482(4)
C9B O11B . 1.247(4)
C9B O10B . 1.272(3)
C1C N1C . 1.405(10)
C1C H1C1 . 0.9800
C1C H1C2 . 0.9800
C1C H1C3 . 0.9800
C2C N1C . 1.526(10)
C2C H2C1 . 0.9800
C2C H2C2 . 0.9800
C2C H2C3 . 0.9800
N1C H1C4 . 0.9100
N1C H1C5 . 0.9100
C1D N1D . 1.41(3)
C1D H1D1 . 0.9800
C1D H1D2 . 0.9800
C1D H1D3 . 0.9800
C2D N1D . 1.63(3)
C2D H2D1 . 0.9800
C2D H2D2 . 0.9800
C2D H2D3 . 0.9800
N1D H1D4 . 0.9100
N1D H1D5 . 0.9100
C1E N1E . 1.430(7)
C1E H1E1 . 0.9800
C1E H1E2 . 0.9800
C1E H1E3 . 0.9800
C2E N1E . 1.399(8)
C2E H2E1 . 0.9800
C2E H2E2 . 0.9800
C2E H2E3 . 0.9800
N1E C3E . 1.285(8)
C3E O1E . 1.216(8)
C3E H3D . 0.9500
C1F N1F . 1.429(8)
C1F H1F1 . 0.9800
C1F H1F2 . 0.9800
C1F H1F3 . 0.9800
C2F N1F . 1.393(9)
C2F H2F1 . 0.9800
C2F H2F2 . 0.9800
C2F H2F3 . 0.9800
N1F C3F . 1.293(9)
C3F O1F . 1.218(9)
C3F H3F . 0.9500
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1C(a) H1C4(a) O1E(a) . 0.91 1.98 2.867(11) 165.8 yes
N1C(a) H1C5(a) O2B . 0.91 2.01 2.782(9) 141.7 yes
N1D(b) H1D4(b) O1B 2_656 0.91 2.16 2.81(3) 127.4 yes
N1D(b) H1D5(b) O2B . 0.91 2.46 3.07(3) 124.4 yes
N1D(b) H1D5(b) O10B 4_576 0.91 2.38 3.10(3) 136.4 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_site_symmetry_4
_geom_torsion
Zn1 O1A C3A O2A . 27.3(5)
Zn1 O1A C3A C4A . -152.9(2)
Zn2 O2A C3A O1A . 8.7(5)
Zn2 O2A C3A C4A . -171.1(2)
O1A C3A C4A C5A . -16.0(5)
O2A C3A C4A C5A . 163.8(3)
O1A C3A C4A O8A . 162.4(3)
O2A C3A C4A O8A . -17.8(4)
O8A C4A C5A C6A . -0.8(4)
C3A C4A C5A C6A . 177.7(3)
C4A C5A C6A C7A . -0.4(4)
C5A C4A O8A C7A . 1.6(3)
C3A C4A O8A C7A . -177.1(2)
C5A C6A C7A O8A . 1.4(4)
C5A C6A C7A C9A . -177.6(3)
C4A O8A C7A C6A . -1.8(3)
C4A O8A C7A C9A . 177.3(2)
O11A C9A C7A C6A . -169.0(3)
O10A C9A C7A C6A . 9.7(5)
O11A C9A C7A O8A . 12.1(4)
O10A C9A C7A O8A . -169.3(2)
O11A C9A O10A Zn2 1_455 1.1(3)
C7A C9A O10A Zn2 1_455 -177.5(2)
O11A C9A O10A Zn1 1_455 -118.8(3)
C7A C9A O10A Zn1 1_455 62.5(4)
Zn2 O2B C3B O1B . 6.5(4)
Zn2 O2B C3B C4B . -172.2(2)
O1B C3B C4B C5B . 2.3(6)
O2B C3B C4B C5B . -179.0(4)
O1B C3B C4B O8B . -174.1(3)
O2B C3B C4B O8B . 4.6(5)
O8B C4B C5B C6B . -0.1(4)
C3B C4B C5B C6B . -176.7(4)
C4B C5B C6B C7B . 0.3(5)
C5B C6B C7B O8B . -0.4(4)
C5B C6B C7B C9B . -179.5(3)
C5B C4B O8B C7B . -0.1(4)
C3B C4B O8B C7B . 177.0(3)
C6B C7B O8B C4B . 0.3(4)
C9B C7B O8B C4B . 179.6(3)
C6B C7B C9B O11B . 175.9(4)
O8B C7B C9B O11B . -3.2(4)
C6B C7B C9B O10B . -2.6(5)
O8B C7B C9B O10B . 178.4(3)
O11B C9B O10B Zn2 4_575 -12.5(4)
C7B C9B O10B Zn2 4_575 165.9(2)
O10B C9B O11B Zn1 2_656 -11.9(5)
C7B C9B O11B Zn1 2_656 169.9(2)
C2E N1E C3E O1E . -161.5(10)
C1E N1E C3E O1E . -6.1(16)
C2F N1F C3F O1F . -170.2(10)
C1F N1F C3F O1F . -1.4(16)

_cod_database_fobs_code 2021377
