Silicon−Carbon Unsaturated Compounds. 70. Thermolysis and Photolysis of Acylpolysilanes with Mesitylacetylene
Naka, Akinobu; Ohnishi, Hidenobu; Ohshita, Joji; Ikadai, Junnai; Kunai, Atsutaka; Ishikawa, Mitsuo; Organometallics 24 (2005) 5356–; doi:10.1021/om050174v

data_4075834
_publ_section_title
;
 Silicon&#x2212;Carbon Unsaturated Compounds. 70. Thermolysis and
 Photolysis of Acylpolysilanes with Mesitylacetylene
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5356
_journal_paper_doi               10.1021/om050174v
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C64 H90 O Si4 '
_chemical_formula_sum            'C64 H90 O Si4'
_chemical_formula_weight         987.76
_chemical_melting_point          198.2(3)
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.89(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.128(3)
_cell_length_b                   46.24(1)
_cell_length_c                   10.720(3)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      17.4
_cell_measurement_theta_min      15.3
_cell_volume                     6343(3)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9985
_diffrn_measured_fraction_theta_max 0.9985
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       60
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17774
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        -1.28
_diffrn_standards_interval_count 0
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.130
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.034
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2152.00
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.342
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     712
_refine_ls_number_reflns         6117
_refine_ls_R_factor_gt           0.0640
_refine_ls_shift/su_max          0.0330
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0590
_reflns_number_gt                6117
_reflns_number_total             14524
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om050174vsi20050705_044754.cif
_cod_data_source_block           '_Cytidine_(Rigaku_Master_f'
_cod_depositor_comments
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The following automatic conversions were performed:

'_chemical_melting_point' value '198.0-198.5' was changed to
'198.2(3)' - the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        6343(2)
_cod_original_formula_sum        'C64 H90 O Si4 '
_cod_database_code               4075834