Information card for entry 7040715

Structure parameters

• Formula: C35 H35.5 B Fe N9.5 P
• Calculated formula: C35 H35.5 B Fe N9.5 P
• Title of publication: Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.
• Authors of publication: Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17254 - 17263
• a: 40.799 ± 0.009 Å
• b: 8.793 ± 0.002 Å
• c: 23.324 ± 0.005 Å
• α: 90°
• β: 124.87°
• γ: 90°
• Cell volume: 6865 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No