Structures of [Zr~2~F~8~(dmso)~4~] and [ZrF~4~(dmso)(H~2~O)~2~].2H~2~O
Gao, Y.; Guery, J.; Jacoboni, C.; Acta Crystallographica Section C 49 (1993) 963–965; doi:10.1107/S0108270192012472

data_2001708
_publ_section_title
;
 Structures of [Zr~2~F~8~(dmso)~4~] and [ZrF~4~(dmso)(H~2~O)~2~].2H~2~O
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              963
_journal_page_last               965
_journal_paper_doi               10.1107/S0108270192012472
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C8 H24 F8 O4 S4 Zr2'
_chemical_formula_structural     '[Zr2 F8 (dmso)4]'
_chemical_formula_sum            'C8 H24 F8 O4 S4 Zr2'
_chemical_formula_weight         646.96
_space_group_IT_number           14
_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                 108.212(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.7974(5)
_cell_length_b                   11.8717(7)
_cell_length_c                   10.7790(9)
_cell_measurement_reflns_used    42
_cell_measurement_temperature    293
_cell_measurement_theta_max      17
_cell_measurement_theta_min      15
_cell_volume                     1069.37(13)
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'STOE-Siemens AED2'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Fine focus Siemens Mo X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4761
_diffrn_reflns_theta_max         30
_diffrn_reflns_theta_min         1
_diffrn_standards_decay_%        43.9
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.412
_exptl_absorpt_correction_T_max  0.8077
_exptl_absorpt_correction_T_min  0.7193
_exptl_absorpt_correction_type   'Gaussian (SHELX76; Sheldrick, 1976)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.2009
_exptl_crystal_description       Prism
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.595
_refine_diff_density_min         -0.603
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.907
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     167
_refine_ls_number_reflns         2502
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.023
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.023
_reflns_number_observed          2502
_reflns_number_total             2991
_reflns_observed_criterion       I>3.0\s(I)
_cod_data_source_file            du1016.cif
_cod_data_source_block           zrdmso
_cod_original_cell_volume        1069.3
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2001708