Uranium Tris-aryloxide Derivatives Supported by Triazacyclononane: Engendering a Reactive Uranium(III) Center with a Single Pocket for Reactivity
Ingrid Castro-Rodriguez; Kristian Olsen; Peter Gantzel; Karsten Meyer; Journal of the American Chemical Society 125 (2003) 4565–4571; doi:10.1021/ja028342n

data_4113654
_publ_contact_author
;
        Karsten Meyer
        University of California, San Diego
        Department of Chemistry & Biochemistry
        9500 Gilman Dr. MC 0358
        La Jolla CA, 92093-0358
        United States of America
;
_publ_contact_author_email       kmeyer@ucsd.edu
_publ_contact_author_fax         '1 858 534 5383'
_publ_contact_author_phone       '1 858 822 4247'
_publ_section_title
;
 Uranium Tris-aryloxide Derivatives Supported by Triazacyclononane:
 Engendering a Reactive Uranium(III) Center with a Single Pocket for
 Reactivity
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4565
_journal_page_last               4571
_journal_paper_doi               10.1021/ja028342n
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C57 H92 N6 O3 U'
_chemical_formula_weight         1147.40
_chemical_name_systematic
; 
 ? 
;
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_cell_length_b                   19.866(7)
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_cell_measurement_theta_min      2.22
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_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(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         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -25
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_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
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_exptl_absorpt_coefficient_mu    2.405
_exptl_absorpt_correction_T_max  0.9535
_exptl_absorpt_correction_T_min  0.7025
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
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_exptl_crystal_density_meas      0
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         8958
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_refine_ls_R_factor_all          0.1117
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_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0741P)^2^+24.9484P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_database_code               4113654