Information card for entry 4114971

Structure parameters

• Common name: Rh6(CO)14(Ppy3)
• Formula: C26 H12 N3 O14 P Rh6
• Calculated formula: C26 H12 N3 O14 P Rh6
• SMILES: [Rh]123456([Rh]789%10([Rh]%11%12%131([Rh]1%143([Rh]327([Rh]8%111([C]%10%13=O)([C]%143=O)(C#[O])C#[O])([C]49=O)(C#[O])C#[O])([C]5%12=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])[CH]1N([P]6(n2cccc2)n2cccc2)C=CC=1)C#[O]
• Title of publication: Tripyrrolylphosphine as a Unique Bridging Ligand in the Rh6(CO)14(μ2-P(NC4H4)3) Cluster: Structure, Bonding, Fluxionality, Thermodynamics, and Kinetics Studies
• Authors of publication: Claudia Babij; C. Scott Browning; David H. Farrar; Igor O. Koshevoy; Ivan S. Podkorytov; Anthony J. Poë; Sergey P. Tunik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 8922 - 8931
• a: 14.9505 ± 0.0008 Å
• b: 9.4316 ± 0.0004 Å
• c: 23.3019 ± 0.0013 Å
• α: 90°
• β: 96.38 ± 0.02°
• γ: 90°
• Cell volume: 3265.4 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.0813
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No