Information card for entry 7010520

Structure parameters

• Common name: 4 Rh6(CO)15(P(4-FC6H4)3)
• Formula: C33 H12 F3 O15 P Rh6
• Calculated formula: C33 H12 F3 O15 P Rh6
• SMILES: [P]([Rh]12345([C]6(=O)[Rh]7891([C]1(=O)[Rh]%10%11%128([C]8(=O)[Rh]267%10(C#[O])(C#[O])[Rh]25%128([C]3(=O)[Rh]491%112(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])C#[O])(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
• 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: 10.4639 ± 0.0016 Å
• b: 16.376 ± 0.003 Å
• c: 11.9344 ± 0.0016 Å
• α: 90°
• β: 112.986 ± 0.01°
• γ: 90°
• Cell volume: 1882.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No