Information card for entry 1507947

Structure parameters

• Formula: C56 Fe2 N24 Nb O10
• Calculated formula: C56 Fe2 N24 Nb O10
• 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: 20.2001 ± 0.0004 Å
• b: 20.2001 ± 0.0004 Å
• c: 14.9565 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6102.9 ± 0.3 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor R(I) for significantly intense reflections: 0.025
• Goodness-of-fit parameter for all reflections: 2.23
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No