Information card for entry 7234349

Structure parameters

• Formula: C21 H18 Br2 Co N4 O
• Calculated formula: C21 H14 Br2 Co N4 O
• Title of publication: The impact of halogen ions on the guest dependent spin crossover behaviour and porosity of Co(ii) one-dimensional coordination polymers [CoX2(4'-(4-pyridyl)-2,2':6',2''-terpyridine)] (X = Cl and Br)
• Authors of publication: Ryo Ohtani; Kodai Shimayama; Akio Mishima; Masaaki Ohba; Ryuta Ishikawa; Satoshi Kawata; Masaaki Nakamura; Leonard F. Lindoy; Shinya Hayami
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 7865 - 7869
• a: 8.5932 ± 0.0007 Å
• b: 10.7755 ± 0.0008 Å
• c: 21.7683 ± 0.0018 Å
• α: 90°
• β: 97.685 ± 0.013°
• γ: 90°
• Cell volume: 1997.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1322
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2324
• Weighted residual factors for all reflections included in the refinement: 0.263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No