Information card for entry 4077717

Structure parameters

• Formula: C105 H48 O6 P2 W
• Calculated formula: C105 H47 O6 P2 W
• Title of publication: Synthesis and Crystal Structures of Two Isomerically Pure Organotransition-Metal [60]Fullerene Derivatives Containing dppb Ligands: mer-M(CO)3(dppb)(η2-C60) (M = Mo, W)
• Authors of publication: Song, Li-Cheng; Liu, Jin-Ting; Hu, Qing-Mei; Weng, Lin-Hong
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 1643
• a: 15.0228 ± 0.0017 Å
• b: 16.0718 ± 0.0019 Å
• c: 16.4052 ± 0.0019 Å
• α: 115.885 ± 0.002°
• β: 98.638 ± 0.003°
• γ: 100.209 ± 0.003°
• Cell volume: 3389.3 ± 0.7 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: 0.1233
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No