Information card for entry 7103607

Structure parameters

• Formula: C59 H82 B2 Co F8 N6 O3
• Calculated formula: C59 H82 B2 Co F8 N6 O3
• SMILES: [Co]1234([n]5ccccc5c5[n]1c(cc(c5)OCCCCCCCCCCCCCC)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)OCCCCCCCCCCCCCC)c1[n]4cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].OC
• 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: 8.897 ± 0.005 Å
• b: 16.527 ± 0.01 Å
• c: 20.591 ± 0.012 Å
• α: 69.685 ± 0.009°
• β: 76.821 ± 0.011°
• γ: 78.979 ± 0.014°
• Cell volume: 2744 ± 3 ų
• Cell temperature: 10 ± 2 K
• Ambient diffraction temperature: 10 ± 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: 0.1218
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No