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_4334536
_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            'C1.26 Cr0.84 N0.42 O4.42 U0.42'
_chemical_formula_weight         235.82
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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                 105.758(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            38
_cell_length_a                   23.5965(19)
_cell_length_b                   7.0484(6)
_cell_length_c                   32.482(3)
_cell_measurement_temperature    296(2)
_cell_volume                     5199.3(8)
_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  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0685
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            21589
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    14.111
_exptl_crystal_density_diffrn    2.862
_exptl_crystal_F_000             3984
_refine_diff_density_max         2.235
_refine_diff_density_min         -1.362
_refine_diff_density_rms         0.218
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.032(8)
_refine_ls_extinction_coef       0.000032(6)
_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   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     552
_refine_ls_number_reflns         10234
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0267P)^2^+12.8967P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0769
_refine_ls_wR_factor_ref         0.0816
_reflns_number_gt                8515
_reflns_number_total             10234
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400341q_si_001_6.cif
_cod_data_source_block           (C3NH10)2(UO2)(CrO4)2(Cr2O7)(H2O)2_(compound_6)
_cod_original_cell_volume        5199.2(7)
_cod_database_code               4334536