Information card for entry 7010519

Structure parameters

• Common name: 3 Rh6(CO)15(P(4-ClC6H4)3)
• Formula: C40 H28 Cl3 O15 P Rh6
• Calculated formula: C40 H28 Cl3 O15 P Rh6
• SMILES: [Rh]12345([Rh]6789([Rh]%10%11%121([Rh]1%133([Rh]326([Rh]7%101([C]9%12=O)([C]%133=O)(C#[O])C#[O])([C]48=O)(C#[O])C#[O])([C]5%11=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])[P](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl.CCCCCCC
• Title of publication: Ligand effects on the structures of Rh6(CO)15L clusters
• Authors of publication: Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 2015
• a: 27.5907 ± 0.0008 Å
• b: 9.804 ± 0.0003 Å
• c: 36.9074 ± 0.0011 Å
• α: 90°
• β: 101.535 ± 0.001°
• γ: 90°
• Cell volume: 9781.8 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No