Information card for entry 7032718

Structure parameters

• Formula: C168 H38 Cl4 Ni2 P2
• Calculated formula: C167.99 H30 Cl4 Ni2 P2
• Title of publication: Molecular structure and spectroscopic properties of a nickel-bridged {Ni(Ph3P)}2(μ2-η(2), η(2)-C60)2 dimer.
• Authors of publication: Konarev, Dmitri V.; Troyanov, Sergey I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 48
• Pages of publication: 17920 - 17923
• a: 25.817 ± 0.001 Å
• b: 22.976 ± 0.001 Å
• c: 15.7552 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9345.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.87933 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No