Information card for entry 7055390

Structure parameters

• Formula: C38 H30 B2 F8 Fe N10 O2
• Calculated formula: C38 H30 B2 F8 Fe N10 O2
• Title of publication: Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover
• Authors of publication: Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 5
• Pages of publication: 4534
• a: 11.891 ± 0.0019 Å
• b: 12.235 ± 0.002 Å
• c: 18.064 ± 0.003 Å
• α: 72.999 ± 0.004°
• β: 75.187 ± 0.003°
• γ: 86.189 ± 0.003°
• Cell volume: 2429.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2567
• Weighted residual factors for all reflections included in the refinement: 0.2841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No