A variable Ag-Cr-oxalate channel lattice: [M~x~Ag~0.5-x~(H~2~O)~3~]@[Ag~2.5~Cr(C~2~O~4~)~3~], M = K, Cs, Ag
Philip A. W. Dean; Don Craig; Ian Dance; Vanessa Russell; Marcia Scudder; Inorganic Chemistry 43 (2004) 443–449; doi:10.1021/ic034988k

data_4310440
_publ_section_title
;
 A variable Ag-Cr-oxalate channel lattice:
 [M~x~Ag~0.5-x~(H~2~O)~3~]@[Ag~2.5~Cr(C~2~O~4~)~3~], M = K, Cs, Ag
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              443
_journal_page_last               449
_journal_paper_doi               10.1021/ic034988k
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C12 Ag5 Cr2 O24 1-,Ag0.44 K0.56 1+,6(H2 O)'
_chemical_formula_sum            'C12 H12 Ag5.44 Cr2 K0.56 O30'
_chemical_formula_weight         1348.9
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source
'International Tables for X-ray Crystallography, Vol. IV'
_audit_creation_method           'RAELSPUB and manual entry'
_cell_angle_alpha                90
_cell_angle_beta                 113.62(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.302(8)
_cell_length_b                   14.670(3)
_cell_length_c                   12.298(5)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      13
_cell_measurement_theta_min      12
_cell_volume                     3025(2)
_computing_cell_refinement       'CAD4 Version 5.0, 1989'
_computing_data_collection       'CAD4 Version 5.0, 1989'
_computing_data_reduction        'Local program'
_computing_molecular_graphics    'ORTEP-II, (Johnson, 1976)'
_computing_publication_material  'Local programs'
_computing_structure_refinement  'RAELS, (Rae, 1989)'
_computing_structure_solution    'SIR92 (Altomare et al, 1994)'
_diffrn_measurement_device_type  'Nonius CAD-4'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2792
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  30min
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    4.282
_exptl_absorpt_correction_T_max  0.64
_exptl_absorpt_correction_T_min  0.53
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(DeMeulenaer & Tompa, 1965)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.96
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2553.3
_refine_diff_density_max         2.56
_refine_diff_density_min         -3.09
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.92
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     250
_refine_ls_number_reflns         2257
_refine_ls_R_factor_gt           0.069
_refine_ls_shift/su_max          0.005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0004F^2^]'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic034988ksi20030821_071553_3.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4310440