Silylacetylene dendrimers: synthesis and characterization
Matsuo, Tsukasa; Uchida, Kumiko; Sekiguchi, Akira; Chemical Communications  (1999) 1799–; doi:10.1039/a905107d

data_7110637
_publ_section_title
;
 Silylacetylene dendrimers: synthesis and characterization
;
_journal_issue                   18
_journal_name_full               'Chemical Communications'
_journal_page_first              1799
_journal_paper_doi               10.1039/a905107d
_journal_year                    1999
_chemical_compound_source        'Local laboratory'
_chemical_formula_sum            'C58 H84 Si10'
_chemical_formula_weight         1062.17
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_atom_type_scat_source
'D.Waasmaier&A.Kirfel,Acta Cryst.1995,A51, 416-431'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   31.061(1)
_cell_length_b                   31.061(1)
_cell_length_c                   12.566(1)
_cell_measurement_reflns_used    73689
_cell_measurement_temperature    180
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      2.04
_cell_volume                     10499.3(10)
_computing_cell_refinement       'MRAC DENZO'
_computing_data_collection       DIP2030K
_computing_data_reduction        maXus
_computing_molecular_graphics    maXus
_computing_publication_material  maXus
_computing_structure_refinement  maXus
_computing_structure_solution    maXus
_diffrn_measurement_device       DIP2030K
_diffrn_orient_matrix_type       X=UH
_diffrn_orient_matrix_UB_11      -0.02757
_diffrn_orient_matrix_UB_12      -0.03289
_diffrn_orient_matrix_UB_13      -0.02481
_diffrn_orient_matrix_UB_21      0.02307
_diffrn_orient_matrix_UB_22      -0.00237
_diffrn_orient_matrix_UB_23      -0.05205
_diffrn_orient_matrix_UB_31      0.00943
_diffrn_orient_matrix_UB_32      -0.01714
_diffrn_orient_matrix_UB_33      0.05479
_diffrn_radiation_type           xray
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16612
_diffrn_reflns_theta_max         27.88
_exptl_absorpt_coefficient_mu    0.218
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.008
_exptl_crystal_density_meas      1.000
_exptl_crystal_description       Prism
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_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
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_refine_diff_density_min         -0.47
_refine_ls_extinction_coef       0.0386
_refine_ls_extinction_method     Larson
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_refine_ls_number_reflns         7207
_refine_ls_R_factor_obs          0.054
_refine_ls_shift/esd_max         0.3645
_refine_ls_shift/esd_mean        0.0275
_refine_ls_structure_factor_coef F
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_refine_ls_wR_factor_obs         0.051
_reflns_number_observed          7207
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_cod_data_source_file            905107dsup1.cif
_cod_data_source_block           sample_I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_refine_ls_weighting_scheme' value 'Unit' changed to
'unit' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        10499.3(3)
_cod_original_sg_symbol_H-M      'P -3          '
_cod_original_formula_sum        'C58 H84 Si10        '
_cod_database_code               7110637