Information card for entry 7231557

Structure parameters

• Formula: C48 H32 I8 Mn2 N16 Nb
• Calculated formula: C48 H32 I8 Mn2 N16 Nb
• Title of publication: Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds
• Authors of publication: Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi
• Journal of publication: CrystEngComm
• Year of publication: 2018
• a: 20.873 ± 0.0007 Å
• b: 20.873 ± 0.0007 Å
• c: 14.2157 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6193.5 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No