Preparation, Structures, and Photocatalytic Properties of Three New Uranyl-Organic Assembly Compounds
Zuo-Lei Liao; Guo-Dong Li; Ming-Hui Bi; Jie-Sheng Chen; Inorganic Chemistry 47 (2008) 4844–4853; doi:10.1021/ic800109y

data_4304982
_publ_section_title
;
Preparation, Structures, and Photocatalytic Properties of Three New
Uranyl-Organic Assembly Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4844
_journal_page_last               4853
_journal_paper_doi               10.1021/ic800109y
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C76 H50 Ag2 N8 O19 U3'
_chemical_formula_sum            'C76 H50 Ag2 N8 O19 U3'
_chemical_formula_weight         2308.06
_chemical_melting_point          ?
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                85.73(3)
_cell_angle_beta                 76.99(3)
_cell_angle_gamma                67.32(3)
_cell_formula_units_Z            2
_cell_length_a                   14.161(3)
_cell_length_b                   15.122(3)
_cell_length_c                   18.212(4)
_cell_measurement_reflns_used    15666
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.39
_cell_measurement_theta_min      1.29
_cell_volume                     3505.7(16)
_computing_cell_refinement       Process-auto
_computing_data_collection       Process-auto
_computing_data_reduction        Process-auto
_computing_molecular_graphics    Process-auto
_computing_publication_material  Process-auto
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       omega-scan
_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  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            33365
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.06
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.536
_exptl_absorpt_correction_T_max  0.6534
_exptl_absorpt_correction_T_min  0.3687
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.186
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2166
_exptl_crystal_size_max          0.32
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_exptl_crystal_size_min          0.26
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_refine_diff_density_min         -1.231
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     973
_refine_ls_number_reflns         15666
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0633P)^2^+6.1259P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.1135
_reflns_number_gt                12617
_reflns_number_total             15666
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800109y-file004_2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'none' was changed to '?' - the value
is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3505.8(12)
_cod_database_code               4304982