Bis(μ-2-phenylquinoline-4-carboxylato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2-phenylquinoline-4-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]
Zha, Mei-Qin; Li, Xing; Bing, Yue; Acta Crystallographica Section E 67 (2011) m8–; doi:10.1107/S1600536810049640

data_2228644
_publ_section_title
;
 Bis(\m-2-phenylquinoline-4-carboxylato)-\k^3^<i>O</i>,<i>O</i>':<i>O</i>;\k^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')(2-phenylquinoline-4-carboxylato-\k^2^<i>O</i>,<i>O</i>')cadmium(II)]
;
_journal_coeditor_code           BH2323
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m8
_journal_paper_doi               10.1107/S1600536810049640
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd2 (C16 H10 N O2)4 (C10 H8 N2)2]'
_chemical_formula_moiety         'C84 H56 Cd2 N8 O8'
_chemical_formula_sum            'C84 H56 Cd2 N8 O8'
_chemical_formula_weight         1530.17
_chemical_name_systematic
;
Bis(\m-2-phenylquinoline-4-carboxylato)-
\k^3^<i>O</i>,<i>O</i>':<i>O</i>;\k^3^<i>O</i>:<i>O</i>,<i>O</i>'-
bis[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')(2-phenylquinoline-4-
carboxylato-\k^2^<i>O</i>,<i>O</i>')cadmium(II)]
;
_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                91.513(3)
_cell_angle_beta                 97.130(3)
_cell_angle_gamma                95.185(3)
_cell_formula_units_Z            1
_cell_length_a                   10.000(2)
_cell_length_b                   13.047(3)
_cell_length_c                   13.157(3)
_cell_measurement_reflns_used    14431
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      1.56
_cell_volume                     1695.1(6)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics
'SHELXTL-PLUS (Sheldrick, 2008) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0572
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14431
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_T_max  0.895
_exptl_absorpt_correction_T_min  0.839
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.068
_refine_diff_density_min         -1.359
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     460
_refine_ls_number_reflns         7492
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0746
_refine_ls_R_factor_gt           0.0452
_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/[\s^2^(Fo^2^)+(0.0731P)^2^+0.6650P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1126
_refine_ls_wR_factor_ref         0.1341
_reflns_number_gt                5547
_reflns_number_total             7492
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2323.cif
_cod_data_source_block           I
_cod_database_code               2228644
_cod_database_fobs_code          2228644