Information card for entry 4340619

Structure parameters

• Formula: C48 H66 Cl2 Fe N10 O8
• Calculated formula: C48 H66 Cl2 Fe N10 O8
• Title of publication: Spin Crossover Star-Shaped Metallomesogens of Iron(II).
• Authors of publication: Seredyuk, Maksym; Muñoz, M Carmen; Ksenofontov, Vadim; Gütlich, Philipp; Galyametdinov, Yury; Real, Jose A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8442 - 8454
• a: 15.76 ± 0.002 Å
• b: 13.6383 ± 0.0012 Å
• c: 24.499 ± 0.003 Å
• α: 90°
• β: 103.348 ± 0.013°
• γ: 90°
• Cell volume: 5123.6 ± 1 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 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: 0.1821
• Residual factor for significantly intense reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.2911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No