Information card for entry 1558800

Structure parameters

• Formula: C46 H46 B Fe N4 O2
• Calculated formula: C46 H46 B Fe N4 O2
• Title of publication: Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer
• Authors of publication: Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi
• Journal of publication: Magnetochemistry
• Year of publication: 2020
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 29
• a: 15.4749 ± 0.0007 Å
• b: 13.9637 ± 0.0006 Å
• c: 18.888 ± 0.0009 Å
• α: 90°
• β: 103.392 ± 0.007°
• γ: 90°
• Cell volume: 3970.5 ± 0.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No