Di-μ-chloro-bis[(2-pyridinecarboxylato-<i>N,O</i>)(2-pyridinecarboxylic acid-<i>N,O</i>)cadmium(II)] ethanol solvate
Odoko, Mamiko; Isomoto, Noriko; Okabe, Nobuo; Acta Crystallographica Section E 57 (2001) m371–m372; doi:10.1107/S1600536801011904

data_2200409
_publ_section_title
;
 Di-\m-chloro-bis[(2-pyridinecarboxylato-<i>N,O</i>)(2-pyridinecarboxylic
 acid-<i>N,O</i>)cadmium(II)] ethanol solvate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m371
_journal_page_last               m372
_journal_paper_doi               10.1107/S1600536801011904
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac
'[Cd2 Cl2 (C6 H4 N O2)2 (C6 H5 N O2)2], C2 H6 O1'
_chemical_formula_moiety         'C24 H18 Cd2 Cl2 N4 O8, C2 H6 O'
_chemical_formula_sum            'C26 H24 Cd2 Cl2 N4 O9'
_chemical_formula_weight         840.29
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.891(2)
_cell_length_b                   15.4430(10)
_cell_length_c                   20.664(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.7
_cell_volume                     3156.4(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection
'MSC/AFC Diffractometer Control (Molecular Structure Corporation, 1992)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1999)'
_computing_molecular_graphics    'ORTEP II (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Rigaku AFC-5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3725
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        1.45
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.574
_exptl_absorpt_correction_T_max  .790
_exptl_absorpt_correction_T_min  .525
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.768
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1616.0
_exptl_crystal_size_max          .500
_exptl_crystal_size_mid          .200
_exptl_crystal_size_min          .150
_refine_diff_density_max         .68
_refine_diff_density_min         -1.09
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.579
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     194
_refine_ls_number_reflns         3725
_refine_ls_R_factor_gt           .0352
_refine_ls_shift/su_max          .0015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + {0.03[Max(Fo^2^,0) + 2Fc^2^]/3}^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1059
_reflns_number_gt                2525
_reflns_number_total             3725
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            cf6068.cif
_cod_data_source_block           I
_cod_original_cell_volume        3156.0(10)
_cod_database_code               2200409
_cod_database_fobs_code          2200409