Syntheses, Structures, and Ion-Exchange Properties of the Three-Dimensional Framework Uranyl Gallium Phosphates, Cs4[(UO2)2(GaOH)2(PO4)4]·H2O and Cs[UO2Ga(PO4)2]
Shvareva, Tatiana Y.; Sullens, Tyler A.; Shehee, Thomas C.; Albrecht-Schmitt, Thomas E.; Inorganic Chemistry 44 (2005) 300–305; doi:10.1021/ic048638p

data_4308368
_publ_section_title
;
 Syntheses, Structures, and Ion-Exchange Properties of the Three-Dimensional
 Framework Uranyl Gallium Phosphates, Cs4[(UO2)2(GaOH)2(PO4)4]&#x00B7;H2O and
 Cs[UO2Ga(PO4)2]
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              300
_journal_page_last               305
_journal_paper_doi               10.1021/ic048638p
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Cs4 Ga2 O23 P4 U2'
_chemical_formula_weight         1639.02
_chemical_name_common            'cesium uranyl gallium hydroxide phosphate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_cell_angle_alpha                90.00
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_cell_measurement_temperature    295(2)
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_cell_measurement_theta_min      2.29
_cell_volume                     2367.6(5)
_computing_cell_refinement       'SMART, SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXCIF-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       '0.3 wide w/ exposures'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         2.29
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         na
_exptl_absorpt_coefficient_mu    22.320
_exptl_absorpt_correction_T_max  0.43219
_exptl_absorpt_correction_T_min  0.24519
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    4.598
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
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_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0424
_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^)+(0.0213P)^2^+24.2265P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0973
_reflns_number_gt                4496
_reflns_number_total             5890
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048638psi20040929_015933_1.cif
_cod_data_source_block           UGaP-1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'multiscan' changed to 'multi-scan'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'nm' 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        2367.5(3)
_cod_database_code               4308368