Information card for entry 7010518

Structure parameters

• Common name: 2 Rh6(CO)15(P(4-F3CC6H4)3)
• Formula: C37 H13 Cl3 F9 O15 P Rh6
• Calculated formula: C37 H13 Cl3 F9 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)C(F)(F)F)(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F.C(Cl)(Cl)Cl
• 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: 34.131 ± 0.001 Å
• b: 9.8589 ± 0.0002 Å
• c: 27.843 ± 0.0008 Å
• α: 90°
• β: 90.268 ± 0.001°
• γ: 90°
• Cell volume: 9368.9 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No