Information card for entry 4341236

Structure parameters

• Formula: C40 H36 Co F20 N
• Calculated formula: C40 H36 Co F20 N
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.c1(c(c(c(c(c1F)F)F)F)F)[Co](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Homoleptic Organocobalt(III) Compounds with Intermediate Spin
• Authors of publication: García-Monforte, M. Angeles; Ara, Irene; Martín, Antonio; Menjón, Babil; Tomás, Milagros; Alonso, Pablo J.; Arauzo, Ana B.; Martínez, Jesús I.; Rillo, Conrado
• Journal of publication: Inorganic Chemistry
• Year of publication: 2014
• Pages of publication: 141006123300006
• a: 18.0482 ± 0.0013 Å
• b: 18.0482 ± 0.0013 Å
• c: 12.2439 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3988.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No