Cr(VI) Trioxide as a Starting Material for the Synthesis of Novel Zero-, One-, and Two-Dimensional Uranyl Dichromates and Chromate-Dichromates
Oleg I. Siidra; Evgeny V. Nazarchuk; Anna N. Suknotova; Roman A. Kayukov; Sergey V. Krivovichev; Inorganic Chemistry 52 (2013) 4729–4735; doi:10.1021/ic400341q

data_4334535
_publ_section_title
;
 Cr(VI) Trioxide as a Starting Material for the Synthesis of Novel Zero-,
 One-, and Two-Dimensional Uranyl Dichromates and Chromate-Dichromates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4729
_journal_page_last               4735
_journal_paper_doi               10.1021/ic400341q
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C0.89 H0 Cr0.89 N0.44 O4.67 U0.44'
_chemical_formula_weight         243.58
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 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                 106.7060(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            36
_cell_length_a                   22.0207(7)
_cell_length_b                   7.2088(2)
_cell_length_c                   31.9884(11)
_cell_measurement_temperature    296(2)
_cell_volume                     4863.6(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0531
_diffrn_reflns_av_sigmaI/netI    0.0260
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            65392
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    15.081
_exptl_crystal_density_diffrn    2.994
_exptl_crystal_F_000             3888
_refine_diff_density_max         3.025
_refine_diff_density_min         -4.351
_refine_diff_density_rms         0.319
_refine_ls_extinction_coef       0.000097(8)
_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   1.372
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         5878
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.372
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+356.0537P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1245
_refine_ls_wR_factor_ref         0.1263
_reflns_number_gt                5352
_reflns_number_total             5878
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400341q_si_001_5.cif
_cod_data_source_block           (C2NH8)2(UO2)(CrO4)2(Cr2O7)(H2O)2_(compound_5)
_cod_database_code               4334535