Information card for entry 4337008

Structure parameters

• Formula: C58 H96 Co2 P4 Sm
• Calculated formula: C58 H96 Co2 P4 Sm
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Sm]167892345([c]2([c]1([c]6([c]7([c]82C)C)C)C)CCC)[P]12[Co]34567([c]8([cH]3[c]4([c]5([cH]68)C(C)(C)C)C(C)(C)C)C(C)(C)C)P1[Co]13456([c]8([cH]3[c]4([c]5([cH]68)C(C)(C)C)C(C)(C)C)C(C)(C)C)[P]92P71)C)C)C)CCC
• 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: 13.0764 ± 0.0014 Å
• b: 14.532 ± 0.0014 Å
• c: 17.9246 ± 0.0019 Å
• α: 75.202 ± 0.008°
• β: 84.017 ± 0.009°
• γ: 63.168 ± 0.007°
• Cell volume: 2938.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1485
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No