Amine templating effect absent in uranyl sulfates synthesized with 1,4-n-butyldiamine
Jouffret, Laurent J.; Wylie, Ernest M.; Burns, Peter C.; Journal of Solid State Chemistry 197 (2013) 160–165; doi:10.1016/j.jssc.2012.08.050

data_1562789
_publ_section_title
;
 Amine templating effect absent in uranyl sulfates synthesized with
 1,4-n-butyldiamine
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              160
_journal_page_last               165
_journal_paper_doi               10.1016/j.jssc.2012.08.050
_journal_volume                  197
_journal_year                    2013
_chemical_formula_structural
'(C4 H14 N2) ((U O2)2 (S O4)3 (H2 O)) (H2 O)3'
_chemical_formula_sum            'C4 H20 N2 O19 S3 U2'
_chemical_formula_weight         972.4
_chemical_name_systematic
' butanediamonium diuranyl trisulfate trihydrate'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.908(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9075(4)
_cell_length_b                   10.4513(4)
_cell_length_c                   17.7881(7)
_cell_measurement_temperature    140
_cell_volume                     2008.52(13)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker APEX2'
_computing_structure_refinement  'Jana2006 (Petricek, 2006)'
_computing_structure_solution    'SIR2002 (Burla, 2003)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_device       'BRUKER AXS Apex2 CCD-4K'
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       'phi-omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.063
_diffrn_reflns_av_sigmaI/netI    0.0617
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            29009
_diffrn_reflns_theta_full        32.42
_diffrn_reflns_theta_max         32.42
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    16.512
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.3370
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS Version 2.03'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.2148
_exptl_crystal_description       block
_exptl_crystal_F_000             1768
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         4.44
_refine_diff_density_min         -4.24
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    2.05
_refine_ls_goodness_of_fit_ref   1.85
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    80
_refine_ls_number_parameters     271
_refine_ls_number_reflns         7123
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0460
_refine_ls_shift/su_max          0.0170
_refine_ls_shift/su_mean         0.0013
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0592
_refine_ls_wR_factor_ref         0.0613
_reflns_number_gt                5465
_reflns_number_total             7123
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            JSSC-2013-197-160.cif
_cod_data_source_block           I
_cod_original_cell_volume        2008.5(1)
_cod_database_code               1562789