Information card for entry 7010517

Structure parameters

• Common name: 1 Rh6(CO)15(P(OPh)3)
• Formula: C33 H15 O18 P Rh6
• Calculated formula: C33 H15 O18 P Rh6
• SMILES: [Rh]12345([Rh]6789([Rh]%10%11%121([Rh]1%132([Rh]236([Rh]7%101([C]9%12=O)([C]%132=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](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• 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: 18.336 ± 0.002 Å
• b: 10.335 ± 0.0012 Å
• c: 20.122 ± 0.002 Å
• α: 90°
• β: 99.178 ± 0.009°
• γ: 90°
• Cell volume: 3764.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0384
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections: 0.973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No