Information card for entry 4120897

Structure parameters

• Formula: C59 H73 Cl2 Fe Mn2 N11 O13
• Calculated formula: C59 H72 Cl2 Fe Mn2 N11 O13
• 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: 12.73 ± 0.003 Å
• b: 14.287 ± 0.003 Å
• c: 18.947 ± 0.004 Å
• α: 87.39 ± 0.03°
• β: 76.45 ± 0.03°
• γ: 65.67 ± 0.03°
• Cell volume: 3047.5 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes