Reductive Reactivity of the Tetravalent Uranium Complex [(η5-C5Me5)(η8-C8H8)U]2(μ-η3:η3-C8H8)
Evans, William J.; Takase, Michael K.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Organometallics 28 (2009) 236–; doi:10.1021/om800747s

data_4068361
_publ_section_title
;
 Reductive Reactivity of the Tetravalent Uranium Complex
 [(\h5-C5Me5)(\h8-C8H8)U]2(\m-\h3:\h3-C8H8)
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_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              236
_journal_paper_doi               10.1021/om800747s
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C48 H56 Te2 U2'
_chemical_formula_weight         1364.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
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_cell_formula_units_Z            4
_cell_length_a                   19.204(6)
_cell_length_b                   9.975(3)
_cell_length_c                   22.158(7)
_cell_measurement_temperature    155(2)
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_computing_cell_refinement       'Bruker SMART/SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      155(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
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_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.84
_diffrn_standards_decay_%        '< 1.0'
_diffrn_standards_interval_count 'initial 50 frames recollected'
_diffrn_standards_number         '50 frames'
_exptl_absorpt_coefficient_mu    9.000
_exptl_absorpt_correction_T_max  0.4114
_exptl_absorpt_correction_T_min  0.2119
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.135
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       hexagonal
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0123P)^2^+26.3072P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0618
_refine_ls_wR_factor_ref         0.0665
_reflns_number_gt                3891
_reflns_number_total             4856
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800747s_si_002.cif
_cod_data_source_block           mkt5
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               4068361