Information card for entry 1507946

Structure parameters

• Formula: C56 H48.2 Mn2 N24 Nb O8.2
• Calculated formula: C56 H48 Mn2 N24 Nb O8.2
• Title of publication: Light-induced spin-crossover magnet.
• Authors of publication: Ohkoshi, Shin-Ichi; Imoto, Kenta; Tsunobuchi, Yoshihide; Takano, Shinjiro; Tokoro, Hiroko
• Journal of publication: Nature chemistry
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 564 - 569
• a: 20.5155 ± 0.0015 Å
• b: 20.5155 ± 0.0015 Å
• c: 15.0907 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6351.5 ± 0.9 ų
• Cell temperature: 294.1 K
• Ambient diffraction temperature: 294.1 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No