Information card for entry 8000006

Structure parameters

• Formula: C18 H29 Cl Fe N8 O4
• Calculated formula: C18 H29 Cl Fe N8 O4
• Title of publication: An Abrupt Spin Crossover FeII Complex Based on Homochiral Chain
• Authors of publication: Nicolas Bréfuel; Sergiu Shova; Jean-Pierre Tuchagues; Naohide Matsumoto
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1092
• a: 13.306 ± 0.003 Å
• b: 15.655 ± 0.003 Å
• c: 21.288 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4434.4 ± 1.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No