Di-μ-chlorido-bis(chlorido{2-[(2-hydroxyphenyl)iminiomethyl]-6-methoxyphenolato-κ^2^<i>O</i>,<i>O</i>'}cadium(II)) methanol disolvate
Jian-Fang Dong; Lian-Zhi Li; Wen-Jian Yu; Tao Xu; Da-Qi Wang; Acta Crystallographica Section E 63 (2007) m2206–m2207; doi:10.1107/S1600536807035210

data_2214787
_publ_section_title
;Di-\m-chlorido-bis(chlorido{2-[(2-hydroxyphenyl)iminiomethyl]-6-methoxyphenolato-\k^2^<i>O</i>,<i>O</i>'}cadium(II))
 methanol disolvate
;
_journal_coeditor_code           LH2451
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2206
_journal_page_last               m2207
_journal_paper_doi               10.1107/S1600536807035210
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cd2 Cl4 (C14 H13 N O3)2] , 2C H4 O'
_chemical_formula_moiety         'C28 H26 Cd2 Cl4 N2 O6 , 2C H4 O'
_chemical_formula_sum            'C30 H34 Cd2 Cl4 N2 O8'
_chemical_formula_weight         917.19
_chemical_name_systematic
;
Di-\m-chlorido-bis(chlorido{2-[(2-hydroxyphenyl)iminiomethyl]-6-
methoxyphenolato-\k^2^O,O']cadium(II)) dimethanol solvate
;
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.157(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.845(6)
_cell_length_b                   18.253(10)
_cell_length_c                   9.792(6)
_cell_measurement_reflns_used    3509
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.5705
_cell_measurement_theta_min      2.396
_cell_volume                     1726.4(18)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART 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  0.0613
_diffrn_reflns_av_sigmaI/netI    0.0665
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            8174
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    1.592
_exptl_absorpt_correction_T_max  0.5545
_exptl_absorpt_correction_T_min  0.5094
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.764
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.42
_refine_diff_density_max         0.998
_refine_diff_density_min         -0.693
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     212
_refine_ls_number_reflns         3025
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0475
_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^)+(0.0233P)^2^+6.6242P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1003
_refine_ls_wR_factor_ref         0.1170
_reflns_number_gt                2233
_reflns_number_total             3025
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2451.cif
_cod_data_source_block           I
_cod_original_cell_volume        1726.3(17)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2214787
_cod_database_fobs_code          2214787