Dirubidium <i>catena</i>-poly[dichloroargentate(I)-μ-chloro]
Hasselgren, Catrin; Jagner, Susan; Acta Crystallographica Section C 55 (1999) 1208–1210; doi:10.1107/S0108270199006277

data_2008760
_publ_section_title
;
 Dirubidium <i>catena</i>-poly[dichloroargentate(I)-\m-chloro]
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1208
_journal_page_last               1210
_journal_paper_doi               10.1107/S0108270199006277
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          'Rb2 Ag Cl3'
_chemical_formula_sum            'Ag Cl3 Rb2'
_chemical_formula_weight         385.16
_chemical_melting_point          .565E-305
_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           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.205(3)
_cell_length_b                   4.4822(10)
_cell_length_c                   17.8738(13)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.5
_cell_measurement_theta_min      11.2
_cell_volume                     737.4(3)
_computing_cell_refinement       'TEXSAN for Windows'
_computing_data_collection
'TEXSAN for Windows (Molecular Structure Corporation, 1997)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 1997) included in the WinGX program system
(Farrugia, 1998)
;
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Rigaku AFC-6R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            741
_diffrn_reflns_theta_full        24.96
_diffrn_reflns_theta_max         24.96
_diffrn_reflns_theta_min         2.28
_diffrn_standards_decay_%        0.99
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    16.811
_exptl_absorpt_correction_T_max  0.186
_exptl_absorpt_correction_T_min  0.096
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.979
_refine_diff_density_min         -2.11
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     43
_refine_ls_number_reflns         741
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_gt           0.035
_refine_ls_shift/su_max          0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(F~o~^2^) + (0.0287P)^2^] where P = [2F~c~^2^ + max(F~o~^2^,0)]/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.094
_reflns_number_gt                416
_reflns_number_total             741
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br1243.cif
_cod_data_source_block           agrb2cl3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F~o~^2^) +
(0.0287P)^2^] where P = [2F~c~^2^ + max(F~o~^2^,0)]/3' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/[\s^2^(F~o~^2^) + (0.0287P)^2^]
where P = [2F~c~^2^ + max(F~o~^2^,0)]/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        737.5(3)
_cod_database_code               2008760
_cod_database_fobs_code          2008760