Rubidium Hydrogen Bis(dichloroacetate)
Yoshida, Tadanori; Kashino, Setsuo; Acta Crystallographica Section C 53 (1997) IUC9700021–; doi:10.1107/S0108270197099368

data_2006724
_publ_section_title
;
 Rubidium Hydrogen Bis(dichloroacetate)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              IUC9700021
_journal_paper_doi               10.1107/S0108270197099368
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          'Rb H (C2 H1 Cl2 O2 )2 '
_chemical_formula_moiety         '(C2 H2 Cl2 O2),(C2 H1 Cl2 O2),Rb'
_chemical_formula_sum            'C4 H3 Cl4 O4 Rb'
_chemical_formula_weight         342.35
_chemical_name_systematic        ' Rubidium hydrogen bis(dichloroacetate)'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                103.83(8)
_cell_angle_beta                 92.30(10)
_cell_angle_gamma                82.07(6)
_cell_formula_units_Z            2
_cell_length_a                   7.446(6)
_cell_length_b                   11.410(7)
_cell_length_c                   6.440(10)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    295
_cell_measurement_theta_max      11.0
_cell_measurement_theta_min      9.5
_cell_volume                     526.2(10)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.012
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            1915
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.6
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.70
_exptl_absorpt_correction_T_max  0.634
_exptl_absorpt_correction_T_min  0.196
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'North, Phillips & Mathews (1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.161
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             328
_exptl_crystal_size_max          0.63
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.40
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.22
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     130
_refine_ls_number_reflns         1321
_refine_ls_R_factor_gt           0.031
_refine_ls_shift/su_max          0.0035
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.033
_reflns_number_gt                1321
_reflns_number_total             1735
_reflns_threshold_expression     I>3.0\s(I)
_cod_data_source_file            qb0023.cif
_cod_data_source_block           I
_cod_original_cell_volume        526(2)
_cod_original_formula_sum        'C4 H3 O4 Cl4 Rb'
_cod_database_code               2006724