<i>catena</i>-Poly[[[aqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato-κ^2^<i>O</i>^2^:<i>O</i>^3^] [[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato-κ^2^<i>O</i>^2^:<i>O</i>^3^]]
Zhu, Yu; Li, Hai-Yang; Ma, Ming-Li; Acta Crystallographica Section E 68 (2012) m574–m575; doi:10.1107/S1600536812014006

data_2234877
_publ_section_title
;
 <i>catena</i>-Poly[[[aqua(4,4'-dimethyl-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')zinc]-\m-3-chlorobenzene-1,2-dicaboxylato-\k^2^<i>O</i>^2^:<i>O</i>^3^]
 [[(4,4'-dimethyl-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')zinc]-\m-3-chlorobenzene-1,2-dicaboxylato-\k^2^<i>O</i>^2^:<i>O</i>^3^]]
;
_journal_coeditor_code           ZQ2156
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m574
_journal_page_last               m575
_journal_paper_doi               10.1107/S1600536812014006
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Zn (C8 H3 Cl O4) (C12 H12 N2) (H2 O)], [Zn (C8 H3 Cl O4) (C12 H12 N2)]'
_chemical_formula_moiety         'C20 H17 Cl N2 O5 Zn, C20 H15 Cl N2 O4 Zn'
_chemical_formula_sum            'C40 H32 Cl2 N4 O9 Zn2'
_chemical_formula_weight         914.38
_chemical_name_systematic
;
<i>catena</i>-Poly[[[aqua(4,4'-dimethyl-2,2'-bipyridine-
\k^2^<i>N</i>,<i>N</i>')zinc]-\m-3-chlorobenzene-1,2-dicaboxylato-
\k^2^<i>O</i>^2^:<i>O</i>^3^] [[(4,4'-dimethyl-2,2'-bipyridine-
\k^2^<i>N</i>,<i>N</i>')zinc]-\m-3-chlorobenzene-1,2-dicaboxylato-
\k^2^<i>O</i>^2^:<i>O</i>^3^]]
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
SHELXL-97
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   34.050(4)
_cell_length_b                   14.1831(10)
_cell_length_c                   7.8764(6)
_cell_measurement_reflns_used    1842
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      29.28
_cell_measurement_theta_min      2.93
_cell_volume                     3803.8(6)
_computing_cell_refinement
;
CrysAlis PRO (Oxford Diffraction, 2007)
;
_computing_data_collection
;
CrysAlis PRO (Oxford Diffraction, 2007)
;
_computing_data_reduction
;
CrysAlis PRO (Oxford Diffraction, 2007)
;
_computing_molecular_graphics    'OLEX2 (Dolomanov <i>et al.</i>, 2009)'
_computing_publication_material  'OLEX2 (Dolomanov <i>et al.</i>, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291.15
_diffrn_detector_area_resol_mean 16.2312
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Eos Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'MO K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            10533
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.93
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.465
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.971
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2007)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1864
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.634
_refine_diff_density_min         -0.368
_refine_ls_abs_structure_details 'Flack (1983), 2200 Friedel pairs'
_refine_ls_abs_structure_Flack   0.093(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         6396
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0355P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0964
_refine_ls_wR_factor_ref         0.1041
_reflns_number_gt                5076
_reflns_number_total             6396
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            zq2156.cif
_cod_data_source_block           I
_cod_database_code               2234877
_cod_database_fobs_code          2234877