Reactivity of Bulky Formamidinatosamarium(II or III) Complexes with C═O and C═S Bonds.
Deacon, Glen B.; Junk, Peter C.; Wang, Jun; Werner, Daniel; Inorganic chemistry  (2014) 141110081832000–; doi:10.1021/ic502181g

data_4341600
_publ_section_title
;
 Reactivity of Bulky Formamidinatosamarium(II or III) Complexes with
 C&#x2550;O and C&#x2550;S Bonds.
;
_journal_name_full               'Inorganic chemistry'
_journal_page_first              141110081832000
_journal_paper_doi               10.1021/ic502181g
_journal_year                    2014
_chemical_formula_sum            'C75 H93 N4 O2 Sm'
_chemical_formula_weight         1232.88
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_cell_angle_beta                 93.12(3)
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_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      30.534
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_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
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_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'X-Seed (Barbour, 1999)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_ambient_temperature      123(1)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_radiation_type           MoK\a
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_exptl_absorpt_correction_type   empirical
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_exptl_crystal_colour            'light yellow'
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_exptl_crystal_description       rhombus
_exptl_crystal_F_000             1298
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1090
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_reflns_number_gt                9645
_reflns_number_total             11037
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502181g_si_001.cif
_cod_data_source_block           Compound6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
/home/saulius/struct/COD-crude-data--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 2935 2014-11-11 08:27:57Z andrius 
;
_cod_original_cell_volume        3253.1(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4341600