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_2001709
_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         'C2 H10 F4 O3 S1 Zr,H4 O2'
_chemical_formula_structural     '[Zr F4 (dmso) (H2O)2 ],2H2O'
_chemical_formula_sum            'C2 H14 F4 O5 S Zr'
_chemical_formula_weight         317.41
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.95(2)
_cell_angle_beta                 98.76(2)
_cell_angle_gamma                108.61(2)
_cell_formula_units_Z            2
_cell_length_a                   7.357(4)
_cell_length_b                   8.318(4)
_cell_length_c                   9.627(5)
_cell_measurement_reflns_used    38
_cell_measurement_temperature    293
_cell_measurement_theta_max      16
_cell_measurement_theta_min      15
_cell_volume                     536.2(5)
_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       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5076
_diffrn_reflns_theta_max         36
_diffrn_reflns_theta_min         1
_diffrn_standards_decay_%        5.7
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.244
_exptl_absorpt_correction_T_max  0.8601
_exptl_absorpt_correction_T_min  0.7955
_exptl_absorpt_correction_type   'Gaussian (SHELX76; Sheldrick, 1976)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.966
_exptl_crystal_description       Prism
_exptl_crystal_F_000             316
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.687
_refine_diff_density_min         -0.501
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.21
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     174
_refine_ls_number_reflns         4559
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.021
_refine_ls_shift/esd_max         0.014
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.021
_reflns_number_observed          4559
_reflns_number_total             4946
_reflns_observed_criterion       I>3.0\s(I)
_cod_data_source_file            du1016.cif
_cod_data_source_block           zrdmsow
_cod_original_cell_volume        536.15
_cod_database_code               2001709