Information card for entry 7108923

Structure parameters

• Formula: C60 H90 Fe2 P10 Sm2
• Calculated formula: C60 H90 Fe2 P10 Sm2
• SMILES: [Sm]123456789([P]%10%11[Fe]%12%13%14%15%16%17(P%10[P]%10%12[Sm]%12%18%19%20%21%22%23%24([P]%25%26[Fe]%27%28%29%30%31%32(P([P]1(P%11P%13%10)P%26%28)P%25%27)[c]1([c]%29([c]%30([c]%31([c]%321C)C)C)C)C)([c]1([c]%12([c]%18([c]%19([c]%201C)C)C)C)C)[c]1([c]%21([c]%22([c]%23([c]%241C)C)C)C)C)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: P-P bond formation via reductive dimerization of [Cp^*^Fe(η^5^-P~5~)] by divalent samarocenes
• Authors of publication: Li, Tianshu; Gamer, Michael T.; Scheer, Manfred; Konchenko, Sergey N.; Roesky, Peter W.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 2183 - 2185
• a: 14.8642 ± 0.0005 Å
• b: 15.0687 ± 0.0005 Å
• c: 17.7081 ± 0.0006 Å
• α: 68.847 ± 0.003°
• β: 77.695 ± 0.003°
• γ: 63.804 ± 0.002°
• Cell volume: 3312.3 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No