Threefold Cation−π Bonding in Trimethylsilylated Allyl Complexes
Gren, Cameron K.; Hanusa, Timothy P.; Rheingold, Arnold L.; Organometallics 26 (2007) 1643–; doi:10.1021/om061174d

data_4072976
_publ_section_title
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 Threefold Cation&#x2212;\p Bonding in Trimethylsilylated Allyl Complexes
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_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1643
_journal_paper_doi               10.1021/om061174d
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C27 H63 Na Si6 Zn'
_chemical_formula_weight         644.67
_chemical_name_systematic
; 

 ? 

;
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_atom_sites_solution_hydrogens   geom
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_cell_angle_gamma                88.586(2)
_cell_formula_units_Z            2
_cell_length_a                   12.1734(17)
_cell_length_b                   12.7745(18)
_cell_length_c                   13.9023(19)
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_cell_measurement_temperature    173(2)
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_cell_measurement_theta_min      2.40
_cell_volume                     2024.1(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    0.809
_exptl_absorpt_correction_T_max  0.9235
_exptl_absorpt_correction_T_min  0.7380
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_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.058
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             700
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+0.7000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             9119
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_cod_data_source_file            om061174dsi20061221_053030.cif
_cod_data_source_block           vand38
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4072976