Information card for entry 7012532

Structure parameters

• Common name: Rh6(CO)14(PPh2Vin)
• Formula: C28 H13 O14 P Rh6
• Calculated formula: C28 H13 O14 P Rh6
• SMILES: [C]12(=O)[Rh]34567([C]8(=O)[Rh]9%10%114([C]4(=O)[Rh]%12%13159(C#[O])([CH](=[CH2]%12)[P]3(c1ccccc1)c1ccccc1)[Rh]13%114([C]4(=O)[Rh]68%101(C#[O])(C#[O])[Rh]27%1334(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])C#[O]
• Title of publication: The structure and dynamic behaviour of disubstituted derivatives of [Rh6(CO)16] containing heterobidentate bridging phosphine ligands
• Authors of publication: Grachova, Elena V.; Haukka, Matti; Heaton, Brian T.; Nordlander, Ebbe; Pakkanen, Tapani A.; Podkorytov, Ivan S.; Tunik, Sergey P.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2468
• a: 15.1678 ± 0.0003 Å
• b: 10.8998 ± 0.0002 Å
• c: 20.6922 ± 0.0005 Å
• α: 90°
• β: 90.125 ± 0.001°
• γ: 90°
• Cell volume: 3420.95 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No