Bis(tetraphenylphosphonium) Tetrachlorodioxouranate(VI) Dichloromethane Solvate
Brown, D. R.; Chippindale, A. M.; Denning, R. G.; Acta Crystallographica Section C 52 (1996) 1164–1166; doi:10.1107/S0108270195016908

data_2004911
_publ_section_title
;
 Bis(tetraphenylphosphonium) Tetrachlorodioxouranate(VI)
 Dichloromethane Solvate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1164
_journal_page_last               1166
_journal_paper_doi               10.1107/S0108270195016908
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '(C24 H20 P1)2 [U1 O2 Cl4], C1 H2 Cl2'
_chemical_formula_moiety         '2C24 H20 P 1+ , Cl4 O2 U 2- , C H2 Cl2'
_chemical_formula_sum            'C49 H42 Cl6 O2 P2 U'
_chemical_formula_weight         1175.57
_chemical_name_systematic
;
Bis(Tetraphenylphosphonium)Tetrachloro-dioxouranium(VI).dichloromethane
;
_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                89.3330(10)
_cell_angle_beta                 77.7150(10)
_cell_angle_gamma                67.0270(10)
_cell_formula_units_Z            2
_cell_length_a                   11.755(8)
_cell_length_b                   14.521(3)
_cell_length_c                   15.884(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      11.51
_cell_measurement_theta_min      4.33
_cell_volume                     2431.4(19)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        CRYSTALS
_computing_molecular_graphics    'CAMERON (Pearce, Watkin & Prout, 1992)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'SIR92 (Altomare et al., 1992)'
_diffrn_measurement_device       'Enraf-nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_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  0.04
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            5467
_diffrn_reflns_theta_max         23.0
_diffrn_standards_decay_%        25.5
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.36
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.87
_exptl_absorpt_correction_type   DIFABS
_exptl_absorpt_process_details   refdelf
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.61
_exptl_crystal_density_meas      ?
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1128.68
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.71
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.0864
_refine_ls_hydrogen_treatment
'H atoms placed geometrically after each cycle; U(H) = U~eq~(C)'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     545
_refine_ls_number_reflns         2589
_refine_ls_R_factor_obs          0.0461
_refine_ls_shift/esd_max         0.05
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
Weighting scheme: chebychev polynomial (Carruthers & Watkin, 1979)
;
_refine_ls_wR_factor_obs         0.0491
_reflns_number_observed          2589
_reflns_number_total             4794
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            mu1235.cif
_cod_data_source_block           I
_cod_original_cell_volume        2431.36
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C49 H42 Cl6 O2 P2 U1'
_cod_database_code               2004911