Photoinduced Brook-Type Rearrangement of Acylcyclopolysilanes.
Stueger, Harald; Hasken, Bernd; Haas, Michael; Rausch, Martin; Fischer, Roland; Torvisco, Ana; Organometallics 33 (2014) 231–239; doi:10.1021/om4009845

data_4082636
_publ_section_title
;
 Photoinduced Brook-Type Rearrangement of Acylcyclopolysilanes.
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              231
_journal_page_last               239
_journal_paper_doi               10.1021/om4009845
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C29 H70 O2 Si9'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                84.182(2)
_cell_angle_beta                 75.753(2)
_cell_angle_gamma                67.7310(10)
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_cell_length_a                   10.3156(4)
_cell_length_b                   11.6125(5)
_cell_length_c                   19.9069(7)
_cell_measurement_reflns_used    9063
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.04
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_limit_l_max       23
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_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    0.302
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.29
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'R. Blessing, Acta Cryst. (1995) A51 33-38.'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.093
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.20
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_refine_ls_R_factor_all          0.0642
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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^)+(0.0980P)^2^+0.3567P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1501
_refine_ls_wR_factor_ref         0.1603
_reflns_number_gt                6141
_reflns_number_total             7283
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om4009845_si_002.cif
_cod_data_source_block           at122_20b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/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 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        2138.83(14)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4082636