Information card for entry 2014150

Structure parameters

• Common name: fac-(CO)~3~((4,4'-dimethyl-2,2'-bpy)rhenium(I)Ph~3~tin(II)
• Chemical name: fac-tricarbonyl-2κ^3^C-(4,4'-dimethyl-2,2'-bipyridine)-2κ^2^N,N'-triphenyl- 1κ^3^C^1^-tin(II)rhenium(I)(Sn—Re)
• Formula: C33 H27 N2 O3 Re Sn
• Calculated formula: C33 H27 N2 O3 Re Sn
• SMILES: [Re]1([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2ccc(cc2c2[n]1ccc(c2)C)C)(C#[O])(C#[O])C#[O]
• Title of publication: <i>fac</i>-Tricarbonyl(4,4'-dimethyl-2,2'-bipyridine)triphenyltin(II)rhenium(I)
• Authors of publication: Gibson, Dorothy H.; Mashuta, Mark S.; Yin, Xiao-Long
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m366 - m367
• a: 10.1077 ± 0.0005 Å
• b: 20.0087 ± 0.0011 Å
• c: 14.302 ± 0.0008 Å
• α: 90°
• β: 99.483 ± 0.001°
• γ: 90°
• Cell volume: 2852.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0162
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes