Information card for entry 7103605

Structure parameters

• Formula: C59 H82 B2 Co F8 N6 O3
• Calculated formula: C59 H82 B2 Co F8 N6 O3
• SMILES: [n]12ccccc1c1cc(cc3[n]1[Co]142([n]2c3cccc2)[n]2ccccc2c2cc(cc([n]12)c1cccc[n]41)OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC.CO.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Dynamic structural conversion in a spin-crossover cobalt(ii) compound with long alkyl chains.
• Authors of publication: Hayami, Shinya; Murata, Kazuhisa; Urakami, Daisuke; Kojima, Yoshihiro; Akita, Motoko; Inoue, Katsuya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 48
• Pages of publication: 6510 - 6512
• a: 9.099 ± 0.009 Å
• b: 17.065 ± 0.017 Å
• c: 20.96 ± 0.02 Å
• α: 69.4 ± 0.016°
• β: 77.362 ± 0.016°
• γ: 79.535 ± 0.016°
• Cell volume: 2954 ± 5 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1542
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No