The selective formation of a 1,2-disilabenzene from the reaction of a disilyne with phenylacetylene.
Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Nagase, Shigeru; Tokitoh, Norihiro; Dalton transactions (Cambridge, England : 2003) 47 (2018) 13318–13322; doi:10.1039/c8dt03081b

data_7047352
_publ_section_title
;
 The selective formation of a 1,2-disilabenzene from the reaction of a
 disilyne with phenylacetylene.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13318
_journal_page_last               13322
_journal_paper_doi               10.1039/c8dt03081b
_journal_volume                  47
_journal_year                    2018
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_symmetry_space_group_name_Hall  '-P 1'
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_audit_block_doi                 10.5517/ccdc.csd.cc1zfw7j
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-03-18 deposited with the CCDC.
2018-08-23 downloaded from the CCDC.
;
_cell_angle_alpha                85.685(3)
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_cell_volume                     3565.4(2)
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_computing_data_collection       CrystalClear
_computing_data_reduction        HKL2000
_computing_molecular_graphics    'Yadokari-XG 2011 (Wakita Nemoto et al., 2011)'
_computing_publication_material  'Yadokari-XG 2011 (Wakita,Nemoto et al., 2011)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_process_details
;
 MULABS - Empirical Correction for Absorption Anisotropy.
 Blessing, R. H., Acta Cryst., A51, 33-38 (1995).
;
_exptl_crystal_colour            colorless
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_exptl_crystal_description       prism
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_refine_ls_R_factor_all          0.1064
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0700P)^2^+2.7760P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1362
_refine_ls_wR_factor_ref         0.1594
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8449
_reflns_number_total             12508
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           compound4
_cod_depositor_comments
'Adding full bibliography for 7047350--7047352.cif.'
_cod_database_code               7047352
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.976
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