Information card for entry 7016552

Structure parameters

• Formula: C100 H28 Cl Ni P2
• Calculated formula: C100 H28 Cl Ni P2
• Title of publication: Preparation of η(2)-complexes of fullerenes by reduction. Crystal structure and optical properties of {Ni(dppp)·(η(2)-C(70))}·(C(6)H(4)Cl(2))(0.5).
• Authors of publication: Konarev, Dmitri V.; Simonov, Sergey V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 36
• Pages of publication: 9176 - 9179
• a: 10.5609 ± 0.0006 Å
• b: 14.0596 ± 0.0007 Å
• c: 19.888 ± 0.001 Å
• α: 100.191 ± 0.004°
• β: 97.361 ± 0.004°
• γ: 97.999 ± 0.004°
• Cell volume: 2842.6 ± 0.3 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 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: 0.07
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No