Information card for entry 7013767

Structure parameters

• Formula: C38 H34 B2 Fe2 N12
• Calculated formula: C38 H34 B2 Fe2 N12
• Title of publication: Magnetic behavior and Mössbauer spectra of spin-crossover pyrazolate bridged dinuclear diiron(II) complexes: X-ray structures of high-spin and low-spin [{Fe(NCBH~3~)(py)}~2~(μ-bpypz)~2~]
• Authors of publication: Nakano, Keisaku; Suemura, Naohiko; Kawata, Satoshi; Fuyuhiro, Akira; Yagi, Takashi; Nasu, Saburo; Morimoto, Syotaro; Kaizaki, Sumio
• Journal of publication: Dalton Transactions
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 982 - 988
• a: 13.4293 ± 0.0008 Å
• b: 9.3858 ± 0.0004 Å
• c: 15.2459 ± 0.0007 Å
• α: 90°
• β: 98.051 ± 0.002°
• γ: 90°
• Cell volume: 1902.72 ± 0.16 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No