A rare uranium(III) complex of a tripodal aromatic amine and its lanthanum analogue
Wietzke, Raphaël; Mazzanti, Marinella; Latour, Jean-Marc; Pécaut, Jacques; Journal of the Chemical Society, Dalton Transactions  (1998) 4087–; doi:10.1039/a807921h

data_7702359
_publ_section_title
;
 A rare uranium(III) complex of a tripodal aromatic amine and its
 lanthanum analogue
;
_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4087
_journal_paper_doi               10.1039/a807921h
_journal_year                    1998
_chemical_formula_sum            'C36 H35 Cl9 La N7 O14'
_chemical_formula_weight         1247.67
_chemical_name_common            '[La(tbpa)(H2O)(m-ClO4)] (ClO4)2.2CHCl3.MeOH'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                69.6470(10)
_cell_angle_beta                 87.5360(10)
_cell_angle_gamma                64.0780(10)
_cell_formula_units_Z            2
_cell_length_a                   11.90850(10)
_cell_length_b                   13.3371(2)
_cell_length_c                   18.2306(3)
_cell_measurement_reflns_used    167
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      0
_cell_volume                     2421.07(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0163
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12134
_diffrn_reflns_theta_full        23.23
_diffrn_reflns_theta_max         23.23
_diffrn_reflns_theta_min         1.78
_diffrn_standards_decay_%        <0.1
_exptl_absorpt_coefficient_mu    1.448
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.48
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.245
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     774
_refine_ls_number_reflns         6844
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          1.616
_refine_ls_shift/su_mean         0.023
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0449P)^2^+4.9421P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0872
_refine_ls_wR_factor_ref         0.0895
_reflns_number_gt                6297
_reflns_number_total             6844
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            807921h.txt
_cod_data_source_block           La(tbpa)
_cod_original_cell_volume        2421.07(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7702359