A heterobimetallic zinc(II)/uranium(IV) complex with the Schiff base 2-amino-<i>N</i>,<i>N</i>'-bis(3-hydroxysalicylidene)benzylamine
Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel; Acta Crystallographica Section E 61 (2005) m2607–m2609; doi:10.1107/S1600536805035488

data_2207703
_publ_section_title
;
 A heterobimetallic zinc(II)/uranium(IV) complex with the Schiff base
 2-amino-<i>N</i>,<i>N</i>'-bis(3-hydroxysalicylidene)benzylamine
;
_journal_coeditor_code           XU6075
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2607
_journal_page_last               m2609
_journal_paper_doi               10.1107/S1600536805035488
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac
'[U Zn (C21 H14 N2 O4) (C5 H7 O2)2 (C5 H5 N)], C4 H8 O'
_chemical_formula_moiety         'C36 H33 N3 O8 U Zn, C4 H8 O'
_chemical_formula_sum            'C40 H41 N3 O9 U Zn'
_chemical_formula_weight         1011.16
_chemical_name_systematic
;
A heterobimetallic zinc(II)/uranium(IV) complex with the Schiff base
2-amino-N,N'-bis(3-hydroxysalicylidene)benzylamine tetrahydrofuran solvate
;
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_symmetry_space_group_name_Hall  '-P 2ac 2ab'
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_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.6996(8)
_cell_length_b                   19.5711(6)
_cell_length_c                   22.9680(11)
_cell_measurement_reflns_used    49102
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.7
_cell_measurement_theta_min      2.6
_cell_volume                     7506.6(6)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection       'KappaCCD Server Software (Nonius, 1997)'
_computing_data_reduction        HKL2000
_computing_molecular_graphics    'SHELXTL (Bruker, 1999)'
_computing_publication_material  'SHELXTL and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       \f
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.081
_diffrn_reflns_av_sigmaI/netI    0.079
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
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_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            49102
_diffrn_reflns_theta_full        25.7
_diffrn_reflns_theta_max         25.7
_diffrn_reflns_theta_min         2.6
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
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_exptl_absorpt_coefficient_mu    5.009
_exptl_absorpt_correction_T_max  0.860
_exptl_absorpt_correction_T_min  0.438
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   '(DELABS in PLATON; Spek, 2003)'
_exptl_crystal_colour            'translucent light yellow'
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_description       platelet
_exptl_crystal_F_000             3968
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.60
_refine_diff_density_min         -0.75
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         7103
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.118
_refine_ls_R_factor_gt           0.048
_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^)+27.6914P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.066
_refine_ls_wR_factor_ref         0.083
_reflns_number_gt                3665
_reflns_number_total             7106
_reflns_threshold_expression     I>2\s(I)
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_cod_data_source_block           I
_cod_database_code               2207703
_cod_database_fobs_code          2207703