Information card for entry 4085172

Structure parameters

• Formula: C61 H57 B N6 O2 P2 Ru W
• Calculated formula: C61 H57 B N6 O2 P2 Ru W
• SMILES: [BH]12n3[n]([W]([n]4n1c(cc4C)C)([n]1n2c(cc1C)C)(=C=C=C=[Ru]1245([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](c6ccccc6)(c6ccccc6)c6ccccc6)[cH]6[cH]1[cH]2[cH]4[cH]56)(C#[O])C#[O])c(cc3C)C
• Title of publication: Selenoxopropadienylidene (CCCSe) as a Bridging Ligand
• Authors of publication: Hill, Anthony F.; Manzano, Richard A.; Sharma, Manab; Ward, Jas S.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 361
• a: 19.5256 ± 0.0004 Å
• b: 11.5909 ± 0.0002 Å
• c: 25.619 ± 0.0005 Å
• α: 90°
• β: 110.124 ± 0.002°
• γ: 90°
• Cell volume: 5444.1 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections: 0.1701
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0861
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No