Information card for entry 7250917

Structure parameters

• Formula: C139 H97 B4 Co2 F16 N19
• Calculated formula: C139 H97 B4 Co2 F16 N19
• Title of publication: Observation of spin-crossover behaviour in Co(ii)-terpyridine complexes possessing π-conjugated substations
• Authors of publication: Soejima, Keita; Sekine, Yoshihiro; Miyake, Kanta; Kiba, Kota; Yamaguchi, Yuito; Zenno, Hikaru; Hayami, Shinya
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 43
• Pages of publication: 35892 - 35898
• a: 20.3553 ± 0.0006 Å
• b: 14.0557 ± 0.0004 Å
• c: 22.6261 ± 0.0006 Å
• α: 90°
• β: 107.921 ± 0.003°
• γ: 90°
• Cell volume: 6159.4 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.233
• Weighted residual factors for all reflections included in the refinement: 0.2624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No