Information card for entry 4337006

Structure parameters

• Formula: C54 H88 Co2 P4 Sm
• Calculated formula: C54 H88 Co2 P4 Sm
• SMILES: [Sm]123456789([P]%10%11[Co]%12%13%14%15%16(P%10[Co]%10%17%18%19%20([P]1%11P%12%10)[c]1([c]%20([cH]%19[c]%18([cH]%171)C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]1[c]%13([cH]%14[c]%15([c]%161C(C)(C)C)C(C)(C)C)C(C)(C)C)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C
• 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: 13.0834 ± 0.0005 Å
• b: 14.3533 ± 0.0006 Å
• c: 19.389 ± 0.0008 Å
• α: 68.837 ± 0.003°
• β: 81.074 ± 0.003°
• γ: 63.807 ± 0.003°
• Cell volume: 3046.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No