Ferrocene-Based Tetradentate Schiff Bases as Supporting Ligands in Uranium Chemistry.
Camp, Clément; Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella; Inorganic chemistry 54 (2015) 5774–5783; doi:10.1021/acs.inorgchem.5b00467

data_4343074
_publ_section_title
;
 Ferrocene-Based Tetradentate Schiff Bases as Supporting Ligands in
 Uranium Chemistry.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5774
_journal_page_last               5783
_journal_paper_doi               10.1021/acs.inorgchem.5b00467
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C40 H50 Fe N2 O4 U'
_chemical_formula_weight         916.70
_chemical_name_systematic
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 ? 
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_space_group_IT_number           73
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_cell_length_c                   27.3994(6)
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_cell_volume                     7626.6(2)
_computing_cell_refinement
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
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_computing_data_reduction
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CrysAlisPro, Oxford Diffraction Ltd.,
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9653
_diffrn_measured_fraction_theta_full 0.999
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_diffrn_measurement_details
;
  1 omega   59.00   87.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -       25.2489  179.0000   60.0000 28

  2 omega   35.00   61.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -       25.2489  179.0000  150.0000 26

  3 omega  -47.00   34.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -       25.2489  -37.0000  120.0000 81

  4 omega  -55.00   35.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -      -27.1239   77.0000 -120.0000 90

;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -30
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_diffrn_reflns_number            19608
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
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_exptl_absorpt_coefficient_mu    4.663
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_exptl_absorpt_correction_type   multi-scan
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CrysAlisPro, Oxford Diffraction Ltd.,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3632
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.104
_refine_diff_density_min         -0.993
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         5818
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_gt           0.0380
_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^)+(0.0219P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0648
_refine_ls_wR_factor_ref         0.0767
_reflns_number_gt                3467
_reflns_number_total             5818
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00467_si_002.cif
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_cod_depositor_comments
'Adding full bibliography for 4343074--4343078.cif.'
_cod_database_code               4343074