A delocalized arene-bridged diuranium single-molecule magnet.
Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.; Nature chemistry 3 (2011) 454–460; doi:10.1038/nchem.1028

data_1507934
_publ_section_title
;
 A delocalized arene-bridged diuranium single-molecule magnet.
;
_journal_issue                   6
_journal_name_full               'Nature chemistry'
_journal_page_first              454
_journal_page_last               460
_journal_paper_doi               10.1038/nchem.1028
_journal_volume                  3
_journal_year                    2011
_chemical_formula_moiety
'C71 H91 Cl1.20 I0.80 N4 P4 Si4 U2, 2.38 C7 H8'
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_chemical_name_systematic
; 
 ? 
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_cell_length_c                   36.903(3)
_cell_measurement_reflns_used    11430
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_cell_measurement_theta_min      2.16
_cell_volume                     17810(2)
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_computing_data_collection       'Bruker SMART version 5.625 (Bruker, 2001)'
_computing_data_reduction        'Bruker SAINT; SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'enCIFer(Allen et al.,2004);PLATON(Spek,2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
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_diffrn_measured_fraction_theta_full 1.000
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_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
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_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.83
_diffrn_standards_decay_%        0
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_exptl_absorpt_coefficient_mu    4.108
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_exptl_absorpt_correction_T_min  0.305
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2007/2'
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_exptl_crystal_description       PLATE
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_platon_squeeze_details
;
;
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_number_reflns         7791
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0695P)^2^+275.1565P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1231
_reflns_number_gt                7358
_reflns_number_total             7791
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_cod_depositor_comments
;
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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        17810.2(19)
_cod_original_formula_sum        'C87.63 H110 Cl1.20 I0.80 N4 P4 Si4 U2'
_cod_database_code               1507934
_nottingham_internal_coll_name   UDPMLP
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_nottingham_internal_coll_client DPM/STL
_nottingham_internal_coll_type   sphere
_nottingham_internal_coll_frame_time '25 s'
_nottingham_internal_coll_frame_width '0.3 degrees'
_nottingham_internal_coll_frame_method \w
_nottingham_internal_coll_user   DPM
_nottingham_internal_coll_date   25/03/2010
_nottingham_internal_process_user DPM
_nottingham_internal_process_date 26/03/2010
_nottingham_internal_solution_user WL
_nottingham_internal_solution_date 26/03/2010
_nottingham_internal_refinement_user STL/wl
_nottingham_internal_refinement_date 19/08/2010
_nottingham_internal_validation_user wl
_nottingham_internal_validation_date 19/8/2010
_nottingham_internal_archive_date 19/8/2010