Actinide Amidinate Complexes with a Dimethylamine Side Arm: Synthesis, Structural Characterization, and Reactivity
Karmel, Isabell S. R.; Fridman, Natalia; Eisen, Moris S.; Organometallics 34 (2015) 636–; doi:10.1021/om501179e

data_4085348
_publ_section_title
;
 Actinide Amidinate Complexes with a Dimethylamine Side Arm: Synthesis,
 Structural Characterization, and Reactivity
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              636
_journal_paper_doi               10.1021/om501179e
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C28 H50 Cl2 N8 Si2 U'
_chemical_formula_sum            'C28 H50 Cl2 N8 Si2 U'
_chemical_formula_weight         863.87
_chemical_name_common            Moris-313(Sara)
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                90.00
_cell_angle_beta                 106.65(3)
_cell_angle_gamma                90.00
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_cell_length_a                   22.264(4)
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_cell_measurement_temperature    250(1)
_cell_measurement_theta_max      24.90
_cell_measurement_theta_min      1.28
_cell_volume                     7430(3)
_computing_cell_refinement       'DENZO HKL2000 (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius, 2006)'
_computing_data_reduction        'DENZO HKL2000 (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Mercury 3.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      250(1)
_diffrn_detector_area_resol_mean 95
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_min       -10
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_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            22359
_diffrn_reflns_theta_full        24.90
_diffrn_reflns_theta_max         24.90
_diffrn_reflns_theta_min         1.28
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    4.607
_exptl_absorpt_correction_T_max  0.510
_exptl_absorpt_correction_T_min  0.320
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'PLATON (Spek, A.L. 1995)'
_exptl_crystal_colour            'pale green'
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3424
_exptl_crystal_size_max          0.35
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_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.010
_refine_diff_density_min         -0.745
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.861
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         6422
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.861
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0269P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0541
_refine_ls_wR_factor_ref         0.0594
_reflns_number_gt                4641
_reflns_number_total             6422
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om501179e_si_002.cif
_cod_data_source_block           Moris-313
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4085347--4085349.cif.
;
_cod_original_cell_volume        7430(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4085348