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_4343078
_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            'C184 H250 Fe4 K6 N8 O45 U2'
_chemical_formula_weight         4227.97
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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Mercury 3.1 New software for searching the Cambridge Structural Database 
and visualizing crystal structures (I.J. Bruno, J.C. Cole, P.R. Edgington, 
M. Kessler, C.F. Macrae, P. McCabe, J. Pearson, R. Taylor, 
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OLEX2: a complete structure solution, refinement and analysis program 
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SUPERFLIP program (Palatinus, L. & Chapuis, G. J. Appl. Cryst., 2007,
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_diffrn_ambient_temperature      150(2)
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  1 omega  -49.00   40.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -27.4364   57.0000  -30.0000 89

  2 omega  -90.00    1.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -27.4364  -77.0000   90.0000 91

  3 omega  -34.00    4.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -27.4364  -81.0000  -14.0000 38

  4 omega  -26.00   31.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -27.4364   37.0000   30.0000 57

  5 omega  -54.00   43.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -27.4364   77.0000 -150.0000 97

  6 omega -104.00  -74.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -27.4364 -179.0000    0.0000 30

  7 omega -100.00   -2.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -27.4364  -37.0000 -150.0000 98

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_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
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_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_unetI/netI     0.0894
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       20
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_diffrn_reflns_number            55490
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_min         3.504
_exptl_absorpt_coefficient_mu    2.290
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_T_min  0.989
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CrysAlisPro, Agilent Technologies,
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Analytical numeric absorption correction using a multifaceted crystal
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(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
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_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2172
_exptl_crystal_size_max          0.9267
_exptl_crystal_size_mid          0.7790
_exptl_crystal_size_min          0.5575
_refine_diff_density_max         4.026
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_refine_ls_number_reflns         27590
_refine_ls_number_restraints     362
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0793
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'w=1/[\s^2^(Fo^2^)+(0.0440P)^2^+2.3412P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 4343074--4343078.cif.'
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