Information card for entry 7208117

Structure parameters

• Common name: synthesis as described
• Formula: C119 H43 Cl4 Fe N4
• Calculated formula: C118.994 H42.996 Cl3.998 Fe N4
• Title of publication: Coordination of fullerene C60 and benzonitrile to iron(ii) tetraphenylporphyrin in the FeIITPP·C60·(C6H4Cl2)2·(C6H14)0.5 and FeIITPP·(C6H5CN)2 complexes
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Lyubovskaya, Rimma N.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 4350
• a: 14.3386 ± 0.0007 Å
• b: 16.8561 ± 0.0009 Å
• c: 16.9461 ± 0.0009 Å
• α: 67.343 ± 0.005°
• β: 84.739 ± 0.004°
• γ: 77.298 ± 0.004°
• Cell volume: 3687.1 ± 0.4 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: 0.105
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No