Dimethylsilyl bis(amidinate)actinide complexes: synthesis and reactivity towards oxygen containing substrates.
Karmel, Isabell S. R.; Elkin, Tatyana; Fridman, Natalia; Eisen, Moris S.; Dalton transactions (Cambridge, England : 2003) 43 (2014) 11376–11387; doi:10.1039/c4dt01361a

data_7031300
_publ_section_title
;
 Dimethylsilyl bis(amidinate)actinide complexes: synthesis and reactivity
 towards oxygen containing substrates.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11376
_journal_page_last               11387
_journal_paper_doi               10.1039/c4dt01361a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C62 H84 Cl2 N8 O4 Si2 Th2'
_chemical_formula_weight         1596.53
_chemical_name_common            Moris-350(Sara)
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.368(2)
_cell_angle_beta                 104.184(2)
_cell_angle_gamma                98.750(2)
_cell_formula_units_Z            1
_cell_length_a                   10.9649(6)
_cell_length_b                   12.6366(7)
_cell_length_c                   12.9693(7)
_cell_measurement_reflns_used    203
_cell_measurement_temperature    250(2)
_cell_measurement_theta_max      23.882
_cell_measurement_theta_min      2.095
_cell_volume                     1696.07(16)
_computing_cell_refinement       'APEX2 v2011.2-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service v2011.3.0.0'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_molecular_graphics    'Mercury  2.4'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      250(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX2 DUO'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0176
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            62495
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.64
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.542
_exptl_absorpt_correction_T_max  0.497
_exptl_absorpt_correction_T_min  0.407
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             786
_exptl_crystal_size_max          0.304
_exptl_crystal_size_mid          0.172
_exptl_crystal_size_min          0.154
_refine_diff_density_max         3.228
_refine_diff_density_min         -0.960
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         5981
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0354
_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^)+(0.0588P)^2^+12.2244P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1074
_refine_ls_wR_factor_ref         0.1092
_reflns_number_gt                5633
_reflns_number_total             5981
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01361a2.cif
_cod_data_source_block           Moris-350
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2016-12-23

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7031298--7031301.cif.
;
_cod_database_code               7031300