Information card for entry 7250914

Structure parameters

• Formula: C93 H66 B4 Co2 F16 N12 O3
• Calculated formula: C93 H66 B4 Co2 F16 N12 O3
• 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: 8.8745 ± 0.0015 Å
• b: 41.277 ± 0.007 Å
• c: 23.237 ± 0.004 Å
• α: 90°
• β: 98.318 ± 0.003°
• γ: 90°
• Cell volume: 8422 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.35 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No