Spontaneous Formation of an η4-Ethylene Bis(carbene) Ligand by Alkyne Coupling at Rhenium(III)
Kleinschmidt, Steffen; Schallenberg, David; Helmdach, Kai; Hinz, Alexander; Villinger, Alexander; Seidel, Wolfram W.; Organometallics 34 (2015) 1091–; doi:10.1021/acs.organomet.5b00030

data_4085660
_publ_section_title
;
 Spontaneous Formation of an \h4-Ethylene Bis(carbene) Ligand by Alkyne
 Coupling at Rhenium(III)
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1091
_journal_paper_doi               10.1021/acs.organomet.5b00030
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C35 H29 Br Re S2 +, C F3 S O3 -'
_chemical_formula_sum            'C36 H29 Br F3 O3 Re S3'
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_chemical_name_systematic
;
 ?
;
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_symmetry_space_group_name_Hall  'P 2yb'
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_cell_angle_beta                 91.234(3)
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_diffrn_measurement_device_type  'Bruker Apex Kappa II-CCD-diffractometer'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -14
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.098(11)
_refine_ls_extinction_method     none
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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^)+(0.0086P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                7979
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om5b00030_si_003.cif
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_cod_database_code               4085660
_shelx_estimated_absorpt_t_min   0.661
_shelx_estimated_absorpt_t_max   0.825
_shelxl_version_number           2013-4
_shelx_res_checksum              70740
_shelx_hkl_checksum              22148