Information card for entry 4326946

Structure parameters

• Formula: C30 H51 Cl F6 Fe N9 P
• Calculated formula: C30 H51 Cl F6.75 Fe N9 P
• Title of publication: A Hydrogen Bond Motif Giving a Variety of Supramolecular Assembly Structures and Spin-Crossover Behaviors
• Authors of publication: Koshiro Nishi; Naohide Matsumoto; Seiichiro Iijima; Malcolm A. Halcrow; Yukinari Sunatsuki; Masaaki Kojima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11303 - 11305
• a: 20.201 ± 0.004 Å
• b: 20.201 ± 0.004 Å
• c: 20.201 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8244 ± 3 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 K
• Number of distinct elements: 7
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No