Information card for entry 4071677

Structure parameters

• Chemical name: MoC60Me5ICO3
• Formula: C69.5 H15 I Mo O3 S3
• Calculated formula: C69.5 H15 I Mo O3 S3
• Title of publication: Group 6 Metal Complexes of the η5-Pentamethyl[60]fullerene
• Authors of publication: Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 4611
• a: 16.872 ± 0.0019 Å
• b: 12.726 ± 0.0015 Å
• c: 20.054 ± 0.0011 Å
• α: 90°
• β: 90.298 ± 0.006°
• γ: 90°
• Cell volume: 4305.8 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.1276
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2404
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No