<i>catena</i>-Poly[[(2-amino-1,3-benzothiazole-6-carboxylato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium]-μ-2-amino-1,3-benzothiazole-6-carboxylato-κ^3^<i>N</i>^1^:<i>O</i>,<i>O</i>']
Gao, Dan; Fang, Xin; Zhang, Ke-Ke; Cai, Li-Mao; Wang, Jun-Dong; Acta Crystallographica Section E 68 (2012) m641–m642; doi:10.1107/S160053681201642X

data_2234627
_publ_section_title
;
 <i>catena</i>-Poly[[(2-amino-1,3-benzothiazole-6-carboxylato-\k^2^<i>O</i>,<i>O</i>')(2,2'-bipyridyl-\k^2^<i>N</i>,<i>N</i>')cadmium]-\m-2-amino-1,3-benzothiazole-6-carboxylato-\k^3^<i>N</i>^1^:<i>O</i>,<i>O</i>']
;
_journal_coeditor_code           HB6715
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m641
_journal_page_last               m642
_journal_paper_doi               10.1107/S160053681201642X
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cd (C8 H5 N2 O2 S)2 (C10 H8 N2)]'
_chemical_formula_moiety         'C26 H18 Cd N6 O4 S2'
_chemical_formula_sum            'C26 H18 Cd N6 O4 S2'
_chemical_formula_weight         640.87
_chemical_name_systematic
;
<i>catena</i>-Poly[[(2-amino-1,3-benzothiazole-6-carboxylato-
\k^2^<i>O</i>,<i>O</i>')(2,2'-bipyridyl-\k^2^<i>N</i>,<i>N</i>')cadmium]-
\m-2-amino-1,3-benzothiazole-6-carboxylato-\k^3^<i>N</i>^1^:<i>O</i>,<i>O</i>']
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                65.28(3)
_cell_angle_beta                 77.52(3)
_cell_angle_gamma                77.15(3)
_cell_formula_units_Z            2
_cell_length_a                   9.977(2)
_cell_length_b                   11.715(2)
_cell_length_c                   11.734(2)
_cell_measurement_reflns_used    4682
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      3.06
_cell_volume                     1202.8(5)
_computing_cell_refinement       'CrystalClear (Rigaku, 2007)'
_computing_data_collection       'CrystalClear (Rigaku, 2007)'
_computing_data_reduction        'CrystalClear (Rigaku, 2007)'
_computing_molecular_graphics    'ORTEX (McArdle, 1995)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Rigaku Saturn 724 CCD area-detector'
_diffrn_measurement_method       dtprofit.ref
_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  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0496
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10158
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         3.58
_exptl_absorpt_coefficient_mu    1.130
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8367
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(<i>NUMABS</i>; Higashi, 2000)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             656.0
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.502
_refine_diff_density_min         -0.719
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5296
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0398
_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^)+(0.0263P)^2^+2.5814P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0853
_refine_ls_wR_factor_ref         0.0877
_reflns_number_gt                5015
_reflns_number_total             5296
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6715.cif
_cod_data_source_block           I
_cod_original_cell_volume        1202.8(4)
_cod_database_code               2234627
_cod_database_fobs_code          2234627