Poly[(μ~2~-quinoline-3-carboxylato-κ^2^<i>N</i>:<i>O</i>)(μ~2~-quinoline-3-carboxylato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>')cadmium]
Wang, Xing; Yan, Yong-Sheng; Sun, He-Yi; Wang, Shen-Tang; Liu, Chun-Bo; Acta Crystallographica Section E 68 (2012) m163–; doi:10.1107/S1600536812001031

data_2233658
_publ_section_title
;
 Poly[(\m~2~-quinoline-3-carboxylato-\k^2^<i>N</i>:<i>O</i>)(\m~2~-quinoline-3-carboxylato-\k^3^<i>N</i>:<i>O</i>,<i>O</i>')cadmium]
;
_journal_coeditor_code           VN2029
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m163
_journal_paper_doi               10.1107/S1600536812001031
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cd (C10 H6 N O2)2]'
_chemical_formula_moiety         'C20 H12 Cd N2 O4'
_chemical_formula_sum            'C20 H12 Cd N2 O4'
_chemical_formula_weight         456.72
_chemical_name_systematic
;
Poly[(\m~2~-quinoline-3-carboxylato-\k^2^<i>N</i>:<i>O</i>)(\m~2~-quinoline-
3-carboxylato-\k^3^<i>N</i>:<i>O</i>,<i>O</i>')cadmium]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 112.7080(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.5458(19)
_cell_length_b                   8.2274(5)
_cell_length_c                   15.3810(10)
_cell_measurement_reflns_used    6971
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.1971
_cell_measurement_theta_min      2.8163
_cell_volume                     3332.3(4)
_computing_cell_refinement       '<i>CrystalClear</i> (Rigaku, 2007)'
_computing_data_collection       '<i>CrystalClear</i> (Rigaku, 2007)'
_computing_data_reduction        '<i>CrystalClear</i> (Rigaku, 2007)'
_computing_molecular_graphics
'<i>CrystalClear</i> (Rigaku, 2007) and <i>DIAMOND</i> (Brandenburg, 1998)'
_computing_publication_material  '<i>SHELXTL</i> (Sheldrick, 2008)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXL97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku Saturn 724+ CCD area-detector'
_diffrn_measurement_method       '\w scans'
_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  0.0146
_diffrn_reflns_av_sigmaI/netI    0.0202
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7361
_diffrn_reflns_theta_full        25.31
_diffrn_reflns_theta_max         25.31
_diffrn_reflns_theta_min         3.09
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.341
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2007)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.821
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.326
_refine_diff_density_min         -0.254
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3014
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0223
_refine_ls_R_factor_gt           0.0185
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0291P)^2^+0.9823P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0497
_refine_ls_wR_factor_ref         0.0509
_reflns_number_gt                2659
_reflns_number_total             3014
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            vn2029.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2233658
_cod_database_fobs_code          2233658