Crystal structure of bis(acetato-O,O')bis(μ-acetato-O,O')bis (k^3^N-antipyrine-O]tetraoxodiuranium, U~2~O~4~(CH~3~COO)~4~[C~6~H~5~N~2~C~3~ (CH~3~)~2~HO]~2~
Bekaert, A.; Lemoine, P.; Brion, J. D.; Viossat, B.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 45–46; doi:

data_8101910
_publ_section_title
;
Crystal structure of bis(acetato-O,O')bis(\m-acetato-O,O')bis
(k^3^N-antipyrine-O]tetraoxodiuranium, U~2~O~4~(CH~3~COO)~4~[C~6~H~5~N~2~C~3~
(CH~3~)~2~HO]~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              45
_journal_page_last               46
_journal_volume                  221
_journal_year                    2006
_chemical_formula_structural     U2(O)4(CH3COO)4[C6H5N2C3(CH3)2HO]2
_chemical_formula_sum            'C30 H36 N4 O14 U2'
_chemical_formula_weight         1152.68
_chemical_name_systematic
;
bis[acetato-O,O']bis(\m-acetato-O,O')bis(\kN^3^-antipyrine-O]dioxouranium
;
_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
_cell_angle_alpha                112.94(5)
_cell_angle_beta                 92.84(7)
_cell_angle_gamma                110.61(8)
_cell_formula_units_Z            1
_cell_length_a                   8.989(9)
_cell_length_b                   9.709(3)
_cell_length_c                   12.220(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.25
_cell_measurement_theta_min      7.87
_cell_volume                     897.5(14)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994) [7] '
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994) [7] '
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995) [8] '
_computing_molecular_graphics    'CAMERON [11]'
_computing_publication_material  'WinGX - Version 1.63.02 [12]'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997) [10] '
_computing_structure_solution    'SIR92 [9]'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       omega/2theta
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3158
_diffrn_reflns_theta_full        24.96
_diffrn_reflns_theta_max         24.96
_diffrn_reflns_theta_min         2.37
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  1
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.081
_exptl_absorpt_correction_T_max  0.1625
_exptl_absorpt_correction_T_min  0.0370
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
'DIFABS - Walker, N. & Stuart, D. (1983) Acta Cryst. A39, 158-166.'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.133
_exptl_crystal_density_meas      2.12(2)
_exptl_crystal_density_method    flotation
_exptl_crystal_description       parallelepipedic
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.725
_refine_diff_density_min         -2.613
_refine_diff_density_rms         0.245
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3158
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0940P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1176
_refine_ls_wR_factor_ref         0.1202
_reflns_number_gt                2816
_reflns_number_total             3158
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1703.cff
_cod_data_source_block           bv93
_cod_original_cell_volume        897.5(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8101910