Information card for entry 4112816

Structure parameters

• Formula: C133 H58 N2 O7 P4 Rh6
• Calculated formula: C133 H58 N2 O7 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#[N]Cc1ccccc1)[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#[N]Cc1ccccc1)C#[O]
• Title of publication: Strong Interfullerene Electronic Communication in a Bisfullerene-Hexarhodium Sandwich Complex
• Authors of publication: Kwangyeol Lee; Yoon Jeong Choi; Youn-Jaung Cho; Chang Yeon Lee; Hyunjoon Song; Chang Hoon Lee; Yoon Sup Lee; Joon T. Park
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9837 - 9844
• a: 14.6778 ± 0.0003 Å
• b: 20.0354 ± 0.0004 Å
• c: 20.3356 ± 0.0004 Å
• α: 95.625 ± 0.001°
• β: 96.939 ± 0.001°
• γ: 111.31 ± 0.001°
• Cell volume: 5465 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1643
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.2858
• Weighted residual factors for all reflections included in the refinement: 0.3354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No