Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[3-(3-hydroxyphenyl)propenoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^]cadmium
Zhang, Chun-Yan; Wen, Yi-Hang; Acta Crystallographica Section E 67 (2011) m1909–; doi:10.1107/S1600536811050847

data_2233035
_publ_section_title
;
 Bis(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')bis[3-(3-hydroxyphenyl)propenoato-\k^2^<i>O</i>^1^,<i>O</i>^1'^]cadmium
;
_journal_coeditor_code           YK2032
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1909
_journal_paper_doi               10.1107/S1600536811050847
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd (C9 H7 O3)2 (C10 H8 N2)2]'
_chemical_formula_moiety         'C38 H30 Cd N4 O6'
_chemical_formula_sum            'C38 H30 Cd N4 O6'
_chemical_formula_weight         751.06
_chemical_name_common
;
Bis(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')bis[3-(3-
hydroxyphenyl)propenoato-\k^2^<i>O</i>^1^,<i>O</i>^1'^]cadmium
;
_space_group_IT_number           14
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 126.382(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7769(16)
_cell_length_b                   36.711(7)
_cell_length_c                   13.188(2)
_cell_measurement_reflns_used    9455
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.63
_cell_measurement_theta_min      2.00
_cell_volume                     3421.0(11)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            29901
_diffrn_reflns_theta_full        27.63
_diffrn_reflns_theta_max         27.63
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    0.691
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .10
_refine_diff_density_max         0.477
_refine_diff_density_min         -0.533
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7869
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_gt           0.0363
_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^)+(0.0265P)^2^+1.7042P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0758
_reflns_number_gt                6136
_reflns_number_total             7869
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            yk2032.cif
_cod_data_source_block           I
_cod_original_cell_volume        3421.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2233035
_cod_database_fobs_code          2233035