Synthesis and structure of diamido ether uranium(IV) and thorium(IV) halide "ate" complexes and their conversion to salt-free bis(alkyl) complexes.
Jantunen, Kimberly C.; Haftbaradaran, Farzad; Katz, Michael J.; Batchelor, Raymond J.; Schatte, Gabriele; Leznoff, Daniel B.; Dalton transactions (Cambridge, England : 2003)  (2005) 3083–3091; doi:10.1039/b506180f

data_7008709
_publ_section_title
;
 Synthesis and structure of diamido ether uranium(IV) and thorium(IV)
 halide "ate" complexes and their conversion to salt-free bis(alkyl)
 complexes.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3083
_journal_page_last               3091
_journal_paper_doi               10.1039/b506180f
_journal_year                    2005
_chemical_formula_moiety
' C14.50 H24.5 Cl1.50 Li0.50 N1 O1 Si1 Th0.50 '
_chemical_formula_sum            'C14.5 H24.5 Cl1.5 Li0.5 N O Si Th0.5'
_chemical_formula_weight         429.6
_chemical_name_systematic
;
?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 99.17(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.157(5)
_cell_length_b                   17.397(4)
_cell_length_c                   9.239(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     3833.2(15)
_computing_molecular_graphics
;
CAMERON (Watkin et al 1996)
;
_computing_publication_material
;
CRYSTALS (Watkin et al 2003)
;
_computing_structure_refinement
;
CRYSTALS (Watkin et al 2003)
;
_computing_structure_solution
;
SIR92 (Altomare et al, 1994)
;
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3531
_diffrn_reflns_theta_full        51.866
_diffrn_reflns_theta_max         68.245
_diffrn_reflns_theta_min         3.144
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    14.6407
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            ' colorless '
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_description       ' block '
_exptl_crystal_F_000             1678.876
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.84
_refine_diff_density_min         -1.12
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         2355
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.000111
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w=1/[\s^2^(Fo) + (0.026Fo)^2^]
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0873
_refine_ls_wR_factor_gt          0.0597
_refine_ls_wR_factor_ref         0.0597
_reflns_limit_h_max              28
_reflns_limit_h_min              -29
_reflns_limit_k_max              20
_reflns_limit_k_min              0
_reflns_limit_l_max              10
_reflns_limit_l_min              0
_reflns_number_gt                2355
_reflns_number_total             3531
_reflns_threshold_expression     I>3.00u(I)
_oxford_refine_ls_scale          0.04152(11)
_cod_data_source_file            b506180f.txt
_cod_data_source_block           {[Me3PhNON]ThCl3Li(THF)2}2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 1 2/m 1 '
_cod_original_formula_sum
' C14.50 H24.5 Cl1.50 Li0.50 N1 O1 Si1 Th0.50 '
_cod_database_code               7008709
_empir_absorpt_correction_t_min  0.0083
_empir_absorpt_correction_t_max  1.0000