New three-dimensional inorganic frameworks based on the uranophane-type sheet in monoamine templated uranyl-vanadates
Jouffret, Laurent; Shao, Zhenmian; Rivenet, Murielle; Abraham, Francis; Journal of Solid State Chemistry 183 (2010) 2290–2297; doi:10.1016/j.jssc.2010.07.035

data_1563497
_publ_section_title
;
 New three-dimensional inorganic frameworks based on the uranophane-type
 sheet in monoamine templated uranyl-vanadates
;
_journal_issue                   10
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2290
_journal_page_last               2297
_journal_paper_doi               10.1016/j.jssc.2010.07.035
_journal_volume                  183
_journal_year                    2010
_chemical_absolute_configuration .
_chemical_formula_sum            'C4 H18 N O23 U4 V3'
_chemical_formula_weight         1553.1
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.1819(2)
_cell_length_b                   13.69310(10)
_cell_length_c                   21.4826(2)
_cell_measurement_temperature    100
_cell_volume                     5054.29(8)
_computing_publication_material
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_computing_structure_refinement
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.96
_diffrn_measured_fraction_theta_max 0.76
_diffrn_measurement_device_type  SMART-1K-CCD
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0719
_diffrn_reflns_av_sigmaI/netI    0.0729
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            29857
_diffrn_reflns_theta_full        25.74
_diffrn_reflns_theta_max         32.03
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    26.69
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.646
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    4.08076
_exptl_crystal_description       square
_exptl_crystal_F_000             5215
_exptl_crystal_size_max          0.082
_exptl_crystal_size_mid          0.078
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.53
_refine_diff_density_min         -3.07
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.33
_refine_ls_goodness_of_fit_ref   1.17
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_parameters     176
_refine_ls_number_reflns         6695
_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.0016
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0330
_refine_ls_wR_factor_ref         0.0375
_reflns_number_gt                4086
_reflns_number_total             6695
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            JSSC-2010-183-2290.cif
_cod_data_source_block           7
_cod_original_sg_symbol_Hall     '-P -2xab;-2ybc;-2zac'
_cod_original_formula_sum        'C4 H18 N1 O23 U4 V3'
_cod_database_code               1563497