Cs~6~Cl~3~[Fe(CN)~6~].H~2~O: a Mixed-Anion Salt
Capparelli, M. V.; Murgich, J.; Acta Crystallographica Section C 51 (1995) 356–358; doi:10.1107/S010827019401022X

data_2003246
_publ_contact_author
;
      Dr. Juan Murgich
      Centro de Qu\'imica
      Instituto Venezolano de Investigaciones Cient\'ificas (IVIC)
      Apartado 21827
      Caracas 1020-A
      VENEZUELA'
;
_publ_section_title
;
 Cs~6~Cl~3~[Fe(CN)~6~].H~2~O: a Mixed-Anion Salt
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              356
_journal_page_last               358
_journal_paper_doi               10.1107/S010827019401022X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         '(Cs+)6, (Cl-)3, Fe(C N)6 3-, H2 O'
_chemical_formula_sum            'C6 H2 Cl3 Cs6 Fe N6 O'
_chemical_formula_weight         1133.76
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_creation_method           'from TEXRAY.INF file'
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_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   13.335(4)
_cell_length_c                   9.677(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(1)
_cell_measurement_theta_max      39.2
_cell_measurement_theta_min      30.9
_cell_volume                     2395.0(11)
_computing_cell_refinement
; MSC/AFC Diffractometer Control Software (Molecular Structure
  Corporation, 1993a)
;
_computing_data_collection
; MSC/AFC Diffractometer Control Software (Molecular Structure
  Corporation, 1993a)
;
_computing_data_reduction
' TEXSAN (Molecular Structure Corporation, 1993b)'
_computing_publication_material
' TEXSAN (Molecular Structure Corporation, 1993b)'
_computing_structure_refinement
' TEXSAN (Molecular Structure Corporation, 1993b)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295.0(10)
_diffrn_measurement_device       'Rigaku AFC7S diffractometer'
_diffrn_measurement_method       '\w-2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -12
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_diffrn_standards_decay_%        -0.24
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.959
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.748
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   'DIFABS, Walker & Stuart (1983)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.144
_exptl_crystal_description       needles
_exptl_crystal_F_000             1980.00
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_refine_ls_shift/esd_max         0.0006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0276
_reflns_number_observed          2431
_reflns_number_total             3137
_reflns_observed_criterion       '[I>3\s(I)]'
_cod_data_source_file            br1089.cif
_cod_data_source_block           br1089
_cod_original_cell_volume        2395.0(9)
_cod_database_code               2003246