Information card for entry 4120898

Structure parameters

• Formula: C136 H184 Fe8 N56 O9
• Calculated formula: C136 H184 Fe8 N56 O9
• Title of publication: Rational Design of a Photomagnetic Chain: Bridging Single-Molecule Magnets with a Spin-Crossover Complex
• Authors of publication: Rodica Ababei; Céline Pichon; Olivier Roubeau; Yang-Guang Li; Nicolas Bréfuel; Lionel Buisson; Philippe Guionneau; Corine Mathonière; Rodolphe Clérac
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 14840 - 14853
• a: 10.809 ± 0.001 Å
• b: 23.098 ± 0.001 Å
• c: 15.5077 ± 0.0009 Å
• α: 90°
• β: 94.39 ± 0.01°
• γ: 90°
• Cell volume: 3860.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1063
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No