Potassium and magnesium succinatouranilates ‒ Synthesis and crystal structure
Novikov, S.A.; Grigoriev, M.S.; Serezhkina, L.B.; Serezhkin, V.N.; Journal of Solid State Chemistry 248 (2017) 178–182; doi:10.1016/j.jssc.2017.02.010

data_1560598
_publ_section_title
;
 Potassium and magnesium succinatouranilates -- Synthesis and crystal
 structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              178
_journal_page_last               182
_journal_paper_doi               10.1016/j.jssc.2017.02.010
_journal_volume                  248
_journal_year                    2017
_chemical_formula_sum            'C12 H28 Mg O24 U2'
_chemical_formula_weight         1056.71
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                85.062(6)
_cell_angle_beta                 72.924(6)
_cell_angle_gamma                85.378(6)
_cell_formula_units_Z            2
_cell_length_a                   10.7867(12)
_cell_length_b                   11.0627(11)
_cell_length_c                   11.9180(12)
_cell_measurement_reflns_used    24690
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.998
_cell_measurement_theta_min      4.097
_cell_volume                     1352.1(2)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker KAPPA APEX II'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0904
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            24690
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.998
_diffrn_reflns_theta_min         4.097
_exptl_absorpt_coefficient_mu    12.085
_exptl_absorpt_correction_T_max  0.484
_exptl_absorpt_correction_T_min  0.274
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Twinabs
_exptl_crystal_density_diffrn    2.595
_exptl_crystal_description       fragment
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         2.113
_refine_diff_density_min         -3.181
_refine_diff_density_rms         0.303
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         24690
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0781
_refine_ls_R_factor_gt           0.0472
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0382P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0978
_refine_ls_wR_factor_ref         0.1091
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17893
_reflns_number_total             24690
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            JSSC-2017-248-178-2.cif
_cod_data_source_block           s154
_cod_database_code               1560598
_shelx_estimated_absorpt_t_min   0.196
_shelx_estimated_absorpt_t_max   0.531
_shelxl_version_number           2014-3
_shelx_res_checksum              52817
_shelx_hkl_checksum              613