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#$Date: 2016-03-23 15:48:26 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179348 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/45/4324501.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_4324501
loop_
_publ_author_name
'Balasubramanian Murugesapandian'
'Peter W. Roesky'
_publ_contact_author
;
  Prof. Dr. Peter W. Roesky
Karlsruher Institut fu/er Technologie (KIT) - Institut fu/er Anorganische Chemie
  Lehrstuhl fu/er Anorganische Funktionsmaterialien
   Engesserstr. 15, Geb. 30.45
   76131 Karlsruhe 
   Bundesrepublik Deutschland
;
_publ_contact_author_email       roesky@kit.edu
_publ_contact_author_fax         +49/(0)7216084854
_publ_contact_author_phone       +49/(0)7216086117
_publ_section_title
;
 Coordination Polymers of Zinc with (η6-Benzenecarboxylate) Chromium
 Tricarbonyl
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1698
_journal_page_last               1704
_journal_paper_doi               10.1021/ic102167t
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C66 H48 Cr4 N4 O20 Zn2, H2 O'
_chemical_formula_sum            'C66 H50 Cr4 N4 O21 Zn2'
_chemical_formula_weight         1573.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             10-07-29
_audit_creation_method           'STOE X-RED'
_cell_angle_alpha                90.00
_cell_angle_beta                 111.921(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.1846(6)
_cell_length_b                   14.7042(5)
_cell_length_c                   12.3100(4)
_cell_measurement_reflns_used    16473
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.55
_cell_measurement_theta_min      1.78
_cell_volume                     3221.51(19)
_computing_cell_refinement       'STOE X-AREA, PLATON (A.L.Spek, 2005)'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED, PLATON (A.L.Spek, 2005)'
_computing_molecular_graphics    'Diamond 2.1e/3'
_computing_publication_material  'X-STEP32, Microsoft Word'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0909
_diffrn_reflns_av_sigmaI/netI    0.0710
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15514
_diffrn_reflns_theta_full        29.15
_diffrn_reflns_theta_max         29.15
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    1.465
_exptl_absorpt_correction_T_max  0.9196
_exptl_absorpt_correction_T_min  0.7474
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED & X-SHAPE'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_description       cube
_exptl_crystal_F_000             1596
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.146
_exptl_crystal_size_min          0.049
_refine_diff_density_max         1.075
_refine_diff_density_min         -0.542
_refine_diff_density_rms         0.083
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.018(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     438
_refine_ls_number_reflns         8606
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0800P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1235
_refine_ls_wR_factor_ref         0.1266
_reflns_number_gt                7667
_reflns_number_total             8606
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102167t_si_001_3.cif
_cod_data_source_block           3
_cod_original_cell_volume        3221.51(18)
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4324501
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C -0.02954(17) 1.0640(2) 0.8498(3) 0.0325(6) Uani 1 1 d .
C2 C -0.01757(19) 1.1591(2) 0.8516(3) 0.0352(6) Uani 1 1 d .
H2 H 0.0264 1.1823 0.8432 0.042 Uiso 1 1 calc R
C3 C -0.0703(2) 1.2190(3) 0.8656(4) 0.0415(8) Uani 1 1 d .
H3 H -0.0623 1.2827 0.8655 0.050 Uiso 1 1 calc R
C4 C -0.1352(2) 1.1856(3) 0.8797(3) 0.0468(9) Uani 1 1 d .
H4 H -0.1711 1.2265 0.8885 0.056 Uiso 1 1 calc R
C5 C -0.1463(2) 1.0914(3) 0.8805(3) 0.0422(8) Uani 1 1 d .
H5 H -0.1897 1.0686 0.8911 0.051 Uiso 1 1 calc R
C6 C -0.09419(19) 1.0304(3) 0.8658(3) 0.0376(7) Uani 1 1 d .
H6 H -0.1023 0.9667 0.8666 0.045 Uiso 1 1 calc R
C7 C 0.02625(18) 0.9982(2) 0.8327(3) 0.0331(6) Uani 1 1 d .
C8 C -0.1803(2) 1.2287(3) 0.6336(3) 0.0419(8) Uani 1 1 d .
C9 C -0.2092(2) 1.0600(3) 0.6223(4) 0.0483(9) Uani 1 1 d .
C10 C -0.0854(2) 1.1118(2) 0.6085(3) 0.0397(7) Uani 1 1 d .
C11 C 0.2715(2) 0.8035(2) 1.1433(3) 0.0367(7) Uani 1 1 d .
C12 C 0.3263(2) 0.7337(2) 1.1699(3) 0.0382(7) Uani 1 1 d .
H12 H 0.3302 0.6972 1.1087 0.046 Uiso 1 1 calc R
C13 C 0.3750(2) 0.7181(2) 1.2858(3) 0.0416(7) Uani 1 1 d .
H13 H 0.4106 0.6701 1.3034 0.050 Uiso 1 1 calc R
C14 C 0.3706(2) 0.7740(3) 1.3761(3) 0.0442(8) Uani 1 1 d .
H14 H 0.4055 0.7657 1.4540 0.053 Uiso 1 1 calc R
C15 C 0.3157(3) 0.8412(3) 1.3526(4) 0.0470(9) Uani 1 1 d .
H15 H 0.3115 0.8766 1.4144 0.056 Uiso 1 1 calc R
C16 C 0.2665(2) 0.8561(3) 1.2357(3) 0.0397(7) Uani 1 1 d .
H16 H 0.2294 0.9024 1.2192 0.048 Uiso 1 1 calc R
C17 C 0.2252(2) 0.8256(3) 1.0176(3) 0.0424(8) Uani 1 1 d .
C18 C 0.3687(3) 0.9888(3) 1.2317(4) 0.0494(9) Uani 1 1 d .
C19 C 0.4073(2) 0.8755(3) 1.1100(4) 0.0443(8) Uani 1 1 d .
C20 C 0.4818(3) 0.8831(4) 1.3319(4) 0.0578(12) Uani 1 1 d .
C21 C 0.0978(3) 0.9040(3) 0.5786(4) 0.0527(11) Uani 1 1 d .
H21 H 0.0888 0.9674 0.5812 0.063 Uiso 1 1 calc R
C22 C 0.0861(3) 0.8647(4) 0.4712(4) 0.0625(13) Uani 1 1 d .
H22 H 0.0686 0.9009 0.4023 0.075 Uiso 1 1 calc R
C23 C 0.0996(5) 0.7734(4) 0.4633(5) 0.082(2) Uani 1 1 d .
C24 C 0.1191(4) 0.7238(3) 0.5670(4) 0.0703(16) Uani 1 1 d .
H24 H 0.1251 0.6598 0.5657 0.084 Uiso 1 1 calc R
C25 C 0.1299(3) 0.7672(3) 0.6718(4) 0.0490(9) Uani 1 1 d .
H25 H 0.1441 0.7318 0.7413 0.059 Uiso 1 1 calc R
C26 C 0.3965(4) 1.2300(5) 0.6524(5) 0.0714(14) Uani 1 1 d .
H26A H 0.4114 1.2759 0.7159 0.086 Uiso 1 1 calc R
H26B H 0.3444 1.2107 0.6380 0.086 Uiso 1 1 calc R
C27 C 0.4484(4) 1.1489(5) 0.6892(6) 0.0752(16) Uani 1 1 d .
H27A H 0.4999 1.1669 0.6976 0.090 Uiso 1 1 calc R
H27B H 0.4310 1.1005 0.6292 0.090 Uiso 1 1 calc R
C28 C 0.4485(4) 1.1136(4) 0.8071(5) 0.0698(14) Uani 1 1 d .
H28A H 0.4895 1.0684 0.8368 0.084 Uiso 1 1 calc R
H28B H 0.4624 1.1653 0.8626 0.084 Uiso 1 1 calc R
C29 C 0.2786(3) 0.9627(4) 0.7486(5) 0.0595(12) Uani 1 1 d .
H29 H 0.2538 0.9157 0.6952 0.071 Uiso 1 1 calc R
C30 C 0.3428(3) 1.0000(4) 0.7412(5) 0.0600(12) Uani 1 1 d .
H30 H 0.3620 0.9772 0.6857 0.072 Uiso 1 1 calc R
C31 C 0.3791(3) 1.0707(3) 0.8147(4) 0.0494(9) Uani 1 1 d .
C32 C 0.3492(3) 1.0980(3) 0.8975(4) 0.0494(9) Uani 1 1 d .
H32 H 0.3724 1.1457 0.9509 0.059 Uiso 1 1 calc R
C33 C 0.2860(3) 1.0553(3) 0.9012(4) 0.0495(9) Uani 1 1 d .
H33 H 0.2674 1.0738 0.9592 0.059 Uiso 1 1 calc R
N1 N 0.12109(18) 0.8573(2) 0.6791(3) 0.0400(6) Uani 1 1 d .
N2 N 0.24953(18) 0.9887(3) 0.8264(3) 0.0443(7) Uani 1 1 d .
O1 O 0.08380(14) 1.03319(17) 0.8206(3) 0.0387(5) Uani 1 1 d .
O2 O 0.01438(16) 0.91502(18) 0.8305(3) 0.0453(6) Uani 1 1 d .
O3 O -0.2107(2) 1.2910(2) 0.5837(3) 0.0632(9) Uani 1 1 d .
O4 O -0.2598(3) 1.0198(3) 0.5588(4) 0.0809(14) Uani 1 1 d .
O5 O -0.0577(2) 1.1008(2) 0.5415(3) 0.0591(8) Uani 1 1 d .
O6 O 0.18644(17) 0.8994(2) 0.9998(3) 0.0524(8) Uani 1 1 d .
O7 O 0.22867(19) 0.7747(3) 0.9395(3) 0.0594(9) Uani 1 1 d .
O8 O 0.3594(3) 1.0659(3) 1.2235(5) 0.0818(13) Uani 1 1 d .
O9 O 0.4224(2) 0.8847(2) 1.0290(3) 0.0653(9) Uani 1 1 d .
O10 O 0.5432(2) 0.8949(4) 1.3893(4) 0.0974(19) Uani 1 1 d .
O11 O 0.5000 1.2948(5) 1.0000 0.202(8) Uani 1 2 d S
Cr1 Cr -0.12913(3) 1.12819(3) 0.71716(4) 0.03108(11) Uani 1 1 d .
Cr2 Cr 0.38197(3) 0.86475(4) 1.24032(5) 0.03498(13) Uani 1 1 d .
Zn Zn 0.15246(2) 0.92777(3) 0.83189(4) 0.03926(11) Uani 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'
Cr Cr 0.3209 0.6236 '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_3
C2 C1 C6 119.3(3) .
C2 C1 C7 121.0(3) .
C6 C1 C7 119.8(3) .
C2 C1 Cr1 71.3(2) .
C6 C1 Cr1 72.00(19) .
C7 C1 Cr1 129.1(2) .
C3 C2 C1 120.2(3) .
C3 C2 Cr1 71.3(2) .
C1 C2 Cr1 71.30(19) .
C2 C3 C4 120.6(4) .
C2 C3 Cr1 71.7(2) .
C4 C3 Cr1 71.9(2) .
C5 C4 C3 119.2(4) .
C5 C4 Cr1 71.9(2) .
C3 C4 Cr1 71.0(2) .
C4 C5 C6 120.9(4) .
C4 C5 Cr1 71.3(2) .
C6 C5 Cr1 71.7(2) .
C5 C6 C1 119.8(3) .
C5 C6 Cr1 71.5(2) .
C1 C6 Cr1 70.76(19) .
O2 C7 O1 123.6(3) .
O2 C7 C1 119.9(3) .
O1 C7 C1 116.4(3) .
O3 C8 Cr1 178.8(5) .
O4 C9 Cr1 177.0(4) .
O5 C10 Cr1 179.3(4) .
C16 C11 C12 118.6(3) .
C16 C11 C17 121.3(3) .
C12 C11 C17 119.8(3) .
C16 C11 Cr2 71.3(2) .
C12 C11 Cr2 71.9(2) .
C17 C11 Cr2 123.3(3) .
C13 C12 C11 120.6(3) .
C13 C12 Cr2 72.8(2) .
C11 C12 Cr2 70.7(2) .
C12 C13 C14 119.6(3) .
C12 C13 Cr2 70.6(2) .
C14 C13 Cr2 70.3(2) .
C15 C14 C13 120.8(4) .
C15 C14 Cr2 72.2(2) .
C13 C14 Cr2 72.8(2) .
C14 C15 C16 119.2(4) .
C14 C15 Cr2 71.2(2) .
C16 C15 Cr2 70.3(2) .
C11 C16 C15 121.1(3) .
C11 C16 Cr2 71.4(2) .
C15 C16 Cr2 72.5(2) .
O7 C17 O6 124.9(4) .
O7 C17 C11 119.0(4) .
O6 C17 C11 116.1(4) .
O8 C18 Cr2 178.3(5) .
O9 C19 Cr2 178.1(4) .
O10 C20 Cr2 179.3(7) .
N1 C21 C22 123.3(4) .
C23 C22 C21 120.5(4) .
C22 C23 C24 116.0(5) .
C22 C23 C26 121.9(5) 4_546
C24 C23 C26 121.6(5) 4_546
C25 C24 C23 120.6(4) .
N1 C25 C24 122.6(4) .
C27 C26 C23 109.8(6) 4_556
C26 C27 C28 108.5(6) .
C31 C28 C27 120.6(5) .
N2 C29 C30 123.8(4) .
C29 C30 C31 119.8(4) .
C30 C31 C32 116.7(4) .
C30 C31 C28 120.9(4) .
C32 C31 C28 122.4(4) .
C33 C32 C31 119.7(4) .
N2 C33 C32 123.2(4) .
C21 N1 C25 116.8(4) .
C21 N1 Zn 118.4(3) .
C25 N1 Zn 124.4(3) .
C29 N2 C33 116.7(4) .
C29 N2 Zn 121.2(3) .
C33 N2 Zn 122.1(3) .
C7 O1 Zn 104.7(2) .
C17 O6 Zn 107.6(3) .
C10 Cr1 C9 88.1(2) .
C10 Cr1 C8 89.58(16) .
C9 Cr1 C8 86.5(2) .
C10 Cr1 C3 116.79(17) .
C9 Cr1 C3 154.62(19) .
C8 Cr1 C3 88.76(17) .
C10 Cr1 C1 88.73(15) .
C9 Cr1 C1 121.54(17) .
C8 Cr1 C1 151.86(16) .
C3 Cr1 C1 67.17(14) .
C10 Cr1 C2 89.66(16) .
C9 Cr1 C2 158.86(17) .
C8 Cr1 C2 114.55(16) .
C3 Cr1 C2 37.01(13) .
C1 Cr1 C2 37.36(13) .
C10 Cr1 C4 153.96(17) .
C9 Cr1 C4 117.86(19) .
C8 Cr1 C4 90.08(17) .
C3 Cr1 C4 37.17(16) .
C1 Cr1 C4 79.50(14) .
C2 Cr1 C4 66.94(14) .
C10 Cr1 C5 152.52(16) .
C9 Cr1 C5 94.05(18) .
C8 Cr1 C5 117.89(17) .
C3 Cr1 C5 66.43(16) .
C1 Cr1 C5 66.84(13) .
C2 Cr1 C5 78.57(14) .
C4 Cr1 C5 36.84(18) .
C10 Cr1 C6 115.69(15) .
C9 Cr1 C6 95.36(16) .
C8 Cr1 C6 154.69(15) .
C3 Cr1 C6 78.81(15) .
C1 Cr1 C6 37.24(12) .
C2 Cr1 C6 66.84(13) .
C4 Cr1 C6 66.73(16) .
C5 Cr1 C6 36.83(15) .
C18 Cr2 C20 88.9(2) .
C18 Cr2 C19 86.6(2) .
C20 Cr2 C19 88.2(2) .
C18 Cr2 C16 86.50(19) .
C20 Cr2 C16 146.2(2) .
C19 Cr2 C16 124.83(16) .
C18 Cr2 C11 106.86(18) .
C20 Cr2 C11 164.2(2) .
C19 Cr2 C11 94.34(17) .
C16 Cr2 C11 37.35(13) .
C18 Cr2 C14 126.22(19) .
C20 Cr2 C14 89.95(19) .
C19 Cr2 C14 147.07(16) .
C16 Cr2 C14 66.54(14) .
C11 Cr2 C14 79.42(15) .
C18 Cr2 C12 143.45(18) .
C20 Cr2 C12 127.2(2) .
C19 Cr2 C12 88.81(17) .
C16 Cr2 C12 66.80(14) .
C11 Cr2 C12 37.43(12) .
C14 Cr2 C12 66.54(15) .
C18 Cr2 C15 95.20(19) .
C20 Cr2 C15 110.3(2) .
C19 Cr2 C15 161.43(19) .
C16 Cr2 C15 37.22(15) .
C11 Cr2 C15 67.41(16) .
C14 Cr2 C15 36.60(14) .
C12 Cr2 C15 78.72(15) .
C18 Cr2 C13 161.28(19) .
C20 Cr2 C13 97.7(2) .
C19 Cr2 C13 111.01(16) .
C16 Cr2 C13 78.30(14) .
C11 Cr2 C13 66.84(14) .
C14 Cr2 C13 36.86(15) .
C12 Cr2 C13 36.62(14) .
C15 Cr2 C13 66.08(15) .
O6 Zn O1 100.87(12) .
O6 Zn N1 137.08(15) .
O1 Zn N1 111.71(12) .
O6 Zn N2 100.09(14) .
O1 Zn N2 103.69(12) .
N1 Zn N2 98.52(14) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.415(5) .
C1 C6 1.416(5) .
C1 C7 1.515(5) .
C1 Cr1 2.209(3) .
C2 C3 1.400(5) .
C2 Cr1 2.209(3) .
C3 C4 1.408(6) .
C3 Cr1 2.203(4) .
C4 C5 1.402(7) .
C4 Cr1 2.214(4) .
C5 C6 1.405(6) .
C5 Cr1 2.222(4) .
C6 Cr1 2.225(4) .
C7 O2 1.242(4) .
C7 O1 1.277(4) .
C8 O3 1.136(5) .
C8 Cr1 1.858(4) .
C9 O4 1.156(6) .
C9 Cr1 1.841(4) .
C10 O5 1.148(5) .
C10 Cr1 1.841(4) .
C11 C16 1.409(5) .
C11 C12 1.418(5) .
C11 C17 1.504(5) .
C11 Cr2 2.201(4) .
C12 C13 1.402(5) .
C12 Cr2 2.217(4) .
C13 C14 1.410(6) .
C13 Cr2 2.245(4) .
C14 C15 1.394(6) .
C14 Cr2 2.213(4) .
C15 C16 1.413(6) .
C15 Cr2 2.227(4) .
C16 Cr2 2.199(4) .
C17 O7 1.240(5) .
C17 O6 1.287(5) .
C18 O8 1.145(6) .
C18 Cr2 1.840(4) .
C19 O9 1.145(6) .
C19 Cr2 1.849(4) .
C20 O10 1.139(6) .
C20 Cr2 1.843(4) .
C21 N1 1.337(5) .
C21 C22 1.383(6) .
C22 C23 1.378(7) .
C23 C24 1.394(7) .
C23 C26 1.588(9) 4_546
C24 C25 1.383(7) .
C25 N1 1.344(5) .
C26 C27 1.510(9) .
C26 C23 1.588(9) 4_556
C27 C28 1.541(8) .
C28 C31 1.508(7) .
C29 N2 1.331(6) .
C29 C30 1.383(7) .
C30 C31 1.383(7) .
C31 C32 1.401(7) .
C32 C33 1.381(7) .
C33 N2 1.348(6) .
N1 Zn 2.031(3) .
N2 Zn 2.090(4) .
O1 Zn 2.005(2) .
O6 Zn 1.966(3) .
