Information card for entry 7103606

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.OC.[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: 8.933 ± 0.004 Å
• b: 17.784 ± 0.007 Å
• c: 20.52 ± 0.009 Å
• α: 69.596 ± 0.007°
• β: 79.688 ± 0.006°
• γ: 85.107 ± 0.007°
• Cell volume: 3005 ± 2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 175 ± 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: 0.1238
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No