Information card for entry 7018113

Structure parameters

• Formula: C92 H20 N O11 Os3 P
• Calculated formula: C92 H20 N O11 Os3 P
• SMILES: C(#[O])[Os]1(C#[O])(C#[O])([P](c2ccccc2)(c2ccccc2)c2ccccc2C2C34C5(CN2C)c2c6c7c4c4c8c3c3c9c5c5c2c2c%10c6c6c7c7c4c4c%11c8c8c3c3c9c9c5c5c2c2c%10c%10c6c6c7c4c4c7c%11c8c8c3c3c9c5c5c2c2c9c5c3c8c7c9c4c6c%102)[Os](C#[O])(C#[O])(C#[O])(C#[O])[Os]1(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of the phosphino-fullerene PPh(2)(o-C(6)H(4))(CH(2)NMeCH)C(60) and its function as an η(1)-P or η(3)-P,C(2) ligand.
• Authors of publication: Chen, Chia-Hsiang; Chen, Chi-Shian; Dai, Huei-Fang; Yeh, Wen-Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 3030 - 3037
• a: 17.418 ± 0.0016 Å
• b: 19.6754 ± 0.0019 Å
• c: 23.14 ± 0.002 Å
• α: 106.174 ± 0.006°
• β: 95.677 ± 0.006°
• γ: 90.006 ± 0.007°
• Cell volume: 7575.8 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.2716
• Residual factor for significantly intense reflections: 0.1668
• Weighted residual factors for significantly intense reflections: 0.3611
• Weighted residual factors for all reflections included in the refinement: 0.4249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No