Crystal structures of rubidium zinc bis(hydrogenselenate(IV)) chloride, RbZn(HSeO~3~)~2~Cl, and rubidium zinc bis(hydrogenselenate(IV)) bromide, RbZn(HSeO~3~)~2~Br
Spirovski, F.; Wagener, M.; Stefov, V.; Engelen, B.; Zeitschrift für Kristallographie - New Crystal Structures 222 (2007) 91–92; doi:

data_8102967
_publ_section_title
;
Crystal structures of rubidium zinc bis(hydrogenselenate(IV)) chloride, 
RbZn(HSeO~3~)~2~Cl, and rubidium zinc bis(hydrogenselenate(IV)) bromide, 
RbZn(HSeO~3~)~2~Br
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              91
_journal_page_last               92
_journal_volume                  222
_journal_year                    2007
_chemical_formula_structural     RbZn[HSeO3]2Cl
_chemical_formula_sum            'Cl H2 O6 Rb Se2 Zn'
_chemical_formula_weight         442.23
_chemical_name_systematic
; 
 rubidium zinc bis(hydrogenselenate(IV)) chloride
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.61(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.4790(10)
_cell_length_b                   6.1100(10)
_cell_length_c                   10.741(2)
_cell_measurement_temperature    293(2)
_cell_volume                     413.26(13)
_computing_cell_refinement       STOE-IPDS
_computing_data_collection       STOE-IPDS
_computing_data_reduction        'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND 2.0 (Brandenburg, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.929
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'Stoe IPDS 1'
_diffrn_measurement_method       phi
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0873
_diffrn_reflns_av_sigmaI/netI    0.0546
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4724
_diffrn_reflns_theta_full        30.43
_diffrn_reflns_theta_max         30.43
_diffrn_reflns_theta_min         3.23
_exptl_absorpt_coefficient_mu    17.933
_exptl_absorpt_correction_type   numeric
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    3.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             404
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.666
_refine_diff_density_min         -1.247
_refine_diff_density_rms         0.232
_refine_ls_extinction_coef       0.0347(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     56
_refine_ls_number_reflns         1172
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0245
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0143P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0513
_refine_ls_wR_factor_ref         0.0528
_reflns_number_gt                1001
_reflns_number_total             1172
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409915.cff
_cod_data_source_block           f17
_cod_original_cell_volume        413.26(12)
_cod_original_sg_symbol_H-M      P12/c1
_cod_original_formula_sum        'Rb1 Zn1 H2 Se2 O6 Cl1'
_cod_database_code               8102967