Crystal growth of novel 3D skeleton uranyl germanium complexes: influence of synthetic conditions on crystal structures.
Li, Haijian; Kegler, Philip; Alekseev, Evgeny V.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 2244–2257; doi:10.1039/c9dt04750f

data_7703364
_publ_section_title
;
 Crystal growth of novel 3D skeleton uranyl germanium complexes: influence
 of synthetic conditions on crystal structures.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2244
_journal_page_last               2257
_journal_paper_doi               10.1039/c9dt04750f
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'Cs6 Ge8 O25 U2'
_chemical_formula_weight         2254.24
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2019-12-05 deposited with the CCDC.	2020-01-24 downloaded from the CCDC.
;
_cell_angle_alpha                91.077(3)
_cell_angle_beta                 96.005(3)
_cell_angle_gamma                117.601(4)
_cell_formula_units_Z            1
_cell_length_a                   7.4500(3)
_cell_length_b                   7.8701(3)
_cell_length_c                   14.7132(6)
_cell_measurement_reflns_used    3447
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.2110
_cell_measurement_theta_min      2.7840
_cell_volume                     758.08(6)
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 15.9834
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.282
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_unetI/netI     0.0423
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.282
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7010
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.282
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         2.792
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    25.635
_exptl_absorpt_correction_T_max  0.077
_exptl_absorpt_correction_T_min  0.003
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    4.938
_exptl_crystal_description       Column
_exptl_crystal_F_000             970
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.826
_refine_diff_density_min         -3.484
_refine_diff_density_rms         0.302
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     203
_refine_ls_number_reflns         3758
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0284P)^2^+10.9641P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0816
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3350
_reflns_number_total             3758
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt04750f2.cif
_cod_data_source_block           Cs6(UO2)2Ge8O21
_cod_depositor_comments
'Adding full bibliography for 7703362--7703366.cif.'
_cod_database_code               7703364
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.027
_shelx_estimated_absorpt_t_max   0.184
_shelx_res_checksum              77156