Information card for entry 7038931

Structure parameters

• Common name: Sc3N@D5h-C80-W(CO)3(dppe)
• Chemical name: Sc3N@D5h-C80-W(CO)3(dppe)
• Formula: C110 H24 N O3 P2 S2 Sc3 W
• Calculated formula: C110 H24 N O3 P2 S2 Sc3 W
• Title of publication: W(CO)3(Ph2PC2H4PPh2)(η(2)-Sc3N@Ih-C80/Sc3N@D5h-C80): regioselective synthesis and crystallographic characterization of air-stable mononuclear complexes of endohedral fullerenes.
• Authors of publication: Bao, Lipiao; Liu, Bin; Li, Xiaofang; Pan, Changwang; Xie, Yunpeng; Lu, Xing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 29
• Pages of publication: 11606 - 11610
• a: 11.2765 ± 0.0005 Å
• b: 13.9075 ± 0.0006 Å
• c: 20.3011 ± 0.0009 Å
• α: 90.536 ± 0.001°
• β: 98.078 ± 0.001°
• γ: 97.157 ± 0.002°
• Cell volume: 3126.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2335
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.82653 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No