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_4334532
_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            'C1.55 Cr0.52 N0.52 O2.19 U0.13'
_chemical_formula_weight         118.48
_chemical_name_systematic
;
 ?
;
_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'
_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                 102.973(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            31
_cell_length_a                   17.5410(18)
_cell_length_b                   8.7776(9)
_cell_length_c                   17.9493(18)
_cell_measurement_temperature    296(2)
_cell_volume                     2693.1(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0237
_diffrn_reflns_av_sigmaI/netI    0.0253
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20745
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    7.633
_exptl_crystal_density_diffrn    2.265
_exptl_crystal_F_000             1696
_refine_diff_density_max         1.830
_refine_diff_density_min         -1.037
_refine_diff_density_rms         0.134
_refine_ls_extinction_coef       0.00038(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   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     329
_refine_ls_number_reflns         6468
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0291
_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^)+(0.0502P)^2^+5.4996P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0849
_reflns_number_gt                5714
_reflns_number_total             6468
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400341q_si_001_2.cif
_cod_data_source_block           (C6H11N2)2(UO2)(Cr2O7)2(H2O)_(compound_2)
_cod_database_code               4334532