Information card for entry 1558801

Structure parameters

• Formula: C81 H86 B2 Fe N6 O2
• Calculated formula: C81 H81 B2 Fe N6 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: 11.5785 ± 0.0004 Å
• b: 36.8734 ± 0.001 Å
• c: 16.5868 ± 0.0005 Å
• α: 90°
• β: 103.385 ± 0.007°
• γ: 90°
• Cell volume: 6889.2 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No