Information card for entry 7707184

Structure parameters

• Formula: C20 H18 Cl2 Co N4 O2
• Calculated formula: C20 H18 Cl2 Co N4 O2
• Title of publication: Hydrogen bond-induced abrupt spin crossover behaviour in 1-D cobalt(II) complexes - the key role of solvate water molecules.
• Authors of publication: Zenno, Hikaru; Kobayashi, Fumiya; Nakamura, Masaaki; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 22
• Pages of publication: 7843 - 7853
• a: 11.1222 ± 0.0008 Å
• b: 7.8437 ± 0.0008 Å
• c: 21.7183 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1894.7 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No