Information card for entry 4337007

Structure parameters

• Formula: C60 H102 Co2 P4 Sm
• Calculated formula: C60 H102 Co2 P4 Sm
• SMILES: [Sm]123456789([P]%10%11[Co]%12%13%14%15%16(P%10[Co]%17%18%19%20%21([P]1%11P%12%17)[c]1([cH]%19[c]%20([c]%21([cH]%181)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]%14[c]%15([c]%16([cH]%131)C(C)(C)C)C(C)(C)C)C(C)(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C.CCCCCC
• Title of publication: Intramolecular Phosphorus-Phosphorus Bond Formation within a Co2P4 Core
• Authors of publication: Tianshu Li; Nicholas Arleth; Michael T. Gamer; Ralf Köppe; Timo Augenstein; Fabian Dielmann; Manfred Scheer; Sergey N. Konchenko; Peter W. Roesky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14231 - 14236
• a: 10.3372 ± 0.0003 Å
• b: 17.1314 ± 0.0005 Å
• c: 34.891 ± 0.0011 Å
• α: 90°
• β: 97.782 ± 0.002°
• γ: 90°
• Cell volume: 6122 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No