Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(2-hydroxybenzoato)-κ<i>O</i>^1^;κ^2^<i>O</i>^1^,<i>O</i>^1'^-cadmium(II) methanol solvate
Benrabah, Rymel; Viossat, Bernard; Tomas, Alain; Lemoine, Pascale; Acta Crystallographica Section E 66 (2010) m156–m157; doi:10.1107/S1600536809054610

data_2224936
_publ_section_title
;Bis(2,2'-bipyridyl-\k^2^<i>N</i>,<i>N</i>')bis(2-hydroxybenzoato)-\k<i>O</i>^1^;\k^2^<i>O</i>^1^,<i>O</i>^1'^-cadmium(II)
 methanol solvate
;
_journal_coeditor_code           DN2517
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m156
_journal_page_last               m157
_journal_paper_doi               10.1107/S1600536809054610
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cd (C7 H5 O3)2 (C10 H8 N2)2], C H4 O'
_chemical_formula_moiety         'C34 H26 Cd N4 O6, C H4 O'
_chemical_formula_sum            'C35 H30 Cd N4 O7'
_chemical_formula_weight         731.03
_chemical_name_systematic
;Bis(2,2'-bipyridyl-\k^2^<i>N</i>,<i>N</i>')bis(2-hydroxybenzoato)-
\k<i>O</i>^1^;\k^2^<i>O</i>^1^,<i>O</i>^1'^-cadmium(II) methanol solvate
;
_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
_cell_angle_alpha                97.640(10)
_cell_angle_beta                 92.30(3)
_cell_angle_gamma                101.00(3)
_cell_formula_units_Z            2
_cell_length_a                   9.115(4)
_cell_length_b                   12.189(2)
_cell_length_c                   14.883(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      8.92
_cell_measurement_theta_min      1.70
_cell_volume                     1605.1(8)
_computing_cell_refinement       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'CAMERON (Watkin <i>et al.</i>,  1996)'
_computing_publication_material  'WinGX (Version 1.63.02; Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w--2\q
_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  0.0403
_diffrn_reflns_av_sigmaI/netI    0.1320
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9433
_diffrn_reflns_theta_full        29.97
_diffrn_reflns_theta_max         29.97
_diffrn_reflns_theta_min         2.05
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.736
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_meas      1.53(2)
_exptl_crystal_density_method    'flotation (CCl~4~/CH~2~Cl~2~)'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.175
_exptl_crystal_size_min          0.125
_refine_diff_density_max         0.365
_refine_diff_density_min         -0.853
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     423
_refine_ls_number_reflns         9117
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.967
_refine_ls_R_factor_all          0.1502
_refine_ls_R_factor_gt           0.0484
_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^)+(0.0472P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1115
_refine_ls_wR_factor_ref         0.1377
_reflns_number_gt                4943
_reflns_number_total             9117
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2517.cif
_cod_data_source_block           I
_cod_database_code               2224936
_cod_database_fobs_code          2224936