Information card for entry 7015737

Structure parameters

• Formula: C124 H56 Cl4 Co P4
• Calculated formula: C124 H56 Cl4 Co P4
• SMILES: C1[P]([Co]2([P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](C1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.Clc1ccccc1Cl.c12c3c4c5c1c1c6c7c5c5c8c4c4c9c3c3c%10c2c2c1c1c%11c%12c2c%10c2c%10c3c9c3c9c%13c%14c%15c%16c%17c%14c(c%109)c2c%12c%17c%11c2c%16c9c%10c%15c%11c%13c3c4c8c%11c%10c5c7c9c2c61.Clc1c(Cl)cccc1
• Title of publication: Structure and properties of ionic fullerene complex Co(+)(dppe)2·(C60˙-)·(C6H4Cl2)2: distortion of the ordered fullerene cage of C60˙- radical anions.
• Authors of publication: Konarev, Dmitri V.; Kuźmin, Alexey V; Simonov, Sergey V.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4453 - 4458
• a: 10.2711 ± 0.0005 Å
• b: 39.2279 ± 0.0018 Å
• c: 20.6979 ± 0.0011 Å
• α: 90°
• β: 100.241 ± 0.005°
• γ: 90°
• Cell volume: 8206.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No