Information card for entry 4114697

Structure parameters

• Common name: Rh6(CO)9(dppm)2(mu3-eta2,eta2,eta2-C60) (1)
• Chemical name: Hexarhodiumnonacarbonyldi(bis(diphenylphosphino)methane)fullereneC60
• Formula: C119 H44 O9 P4 Rh6
• Calculated formula: C119 H44 O9 P4 Rh6
• SMILES: [Rh]1234567([Rh]89%10%11%12%13([Rh]%14%15%16%17%181([Rh]1%192([Rh]2%2038([Rh]9%141([C]%11%16=O)([C]%192=O)(C#[O])[P](C[P]%20(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([C]4%10=O)C#[O])([C]5%15=O)(C#[O])[P](C[P]%17(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[C]12[C]3%13=[C]4%12[C]57=[C]76[C]%18=1c1c6c7c7c8c5c5c4c4c9c3c3c2c2c1c1c%10c6c6c7c7c8c8c5c5c4c4c9c9c3c3c2c1c1c2c%10c6c6c7c7c8c5c5c4c4c9c3c1c1c2c6c7c5c41)C#[O])C#[O]
• Title of publication: The First Fullerene-Metal Sandwich Complex: An Unusually Strong Electronic Communication between Two C60 Cages
• Authors of publication: Kwangyeol Lee; Hyunjoon Song; Bongsoo Kim; Joon T. Park; Sangwoo Park; Moon-Gun Choi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 2872 - 2873
• a: 15.499 ± 0.003 Å
• b: 19.415 ± 0.004 Å
• c: 33.223 ± 0.007 Å
• α: 85.07 ± 0.03°
• β: 83.43 ± 0.03°
• γ: 73.24 ± 0.03°
• Cell volume: 9495 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2764
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.2154
• Weighted residual factors for all reflections included in the refinement: 0.2965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No