Bis(tetraphenylarsonium) aquatetra(cyano-<i>C</i>)nitridorhenate(V) pentahydrate
Britten, J. F.; Lock, C. J. L.; Wei, Y.; Acta Crystallographica Section C 49 (1993) 1277–1280; doi:10.1107/S0108270193001155

data_2001498
_publ_section_title
;
 Bis(tetraphenylarsonium) aquatetra(cyano-<i>C</i>)nitridorhenate(V)
 pentahydrate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1277
_journal_page_last               1280
_journal_paper_doi               10.1107/S0108270193001155
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety
;
2(C24 H20 As),C4 H2 N5 O1 Rh1,5(H2 O1)
;
_chemical_formula_sum            'C52 H52 As2 N5 O6 Re'
_chemical_formula_weight         1179.0
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.
_cell_angle_beta                 101.638(15)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   15.330(3)
_cell_length_b                   19.808(4)
_cell_length_c                   16.915(3)
_cell_measurement_reflns_used    17
_cell_measurement_temperature    167(2)
_cell_measurement_theta_max      17.45
_cell_measurement_theta_min      13.05
_cell_volume                     5030.8(17)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_reflns_av_R_equivalents  0.055
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            10303
_diffrn_reflns_theta_max         20
_diffrn_standards_decay_%        +-2.1
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.774
_exptl_absorpt_correction_T_max  0.182
_exptl_absorpt_correction_T_min  0.130
_exptl_absorpt_correction_type   'refdelf (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_density_meas      1.530(10)
_exptl_crystal_density_method    'suspension in CCl~4~/cyclohexane'
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.15
_refine_diff_density_min         -1.38
_refine_ls_extinction_method     'not applied'
_refine_ls_goodness_of_fit_obs   1.41
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     595
_refine_ls_number_reflns         9615
_refine_ls_R_factor_obs          0.0583
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0315
_reflns_number_observed          9615
_reflns_number_total             9615
_reflns_observed_criterion       -3\s~I~<=I<=3\s~I~
_cod_data_source_file            br1026.cif
_cod_data_source_block           br1026_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^' 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^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        5031(2)
_cod_original_formula_sum        'C52 H52 As2 N5 O6 Re1'
_cod_database_code               2001498