Lanthanide(II)−Alkali Sandwich Complexes with Cation−Arene π Interactions: Synthesis, Structure, and Solvent-Mediated Redox Transformations
Pan, Cheng-Ling; Chen, Wan; Song, Jiangfeng; Organometallics 30 (2011) 2252–; doi:10.1021/om200044j

data_4064328
_publ_section_title
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 Lanthanide(II)&#x2212;Alkali Sandwich Complexes with Cation&#x2212;Arene
 \p Interactions: Synthesis, Structure, and Solvent-Mediated Redox
 Transformations
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_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              2252
_journal_paper_doi               10.1021/om200044j
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C62 H80 K N4 Si Sm'
_chemical_formula_sum            'C62 H80 K N4 Si Sm'
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_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
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_cell_angle_beta                 92.1200(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.0691(5)
_cell_length_b                   18.4893(6)
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_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.09
_cell_measurement_theta_min      1.37
_cell_volume                     6491.4(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
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_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_standards_decay_%        none
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_exptl_absorpt_coefficient_mu    1.025
_exptl_absorpt_correction_T_max  0.7765
_exptl_absorpt_correction_T_min  0.6728
_exptl_absorpt_correction_type   empirical
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_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.141
_exptl_crystal_density_meas      ?
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_refine_ls_R_factor_gt           0.0302
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0382P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0772
_reflns_number_gt                10299
_reflns_number_total             12877
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200044j_si_005.cif
_cod_data_source_block           m
_cod_depositor_comments
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The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'None' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4064328