Information card for entry 4333785

Structure parameters

• Formula: C46 H42 B2 F8 Fe N10 O6
• Calculated formula: C46 H42 B2 F8 Fe N10 O6
• Title of publication: Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent
• Authors of publication: Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1658 - 1665
• a: 17.211 ± 0.004 Å
• b: 15.17 ± 0.003 Å
• c: 19.113 ± 0.004 Å
• α: 90°
• β: 111.999 ± 0.003°
• γ: 90°
• Cell volume: 4626.9 ± 1.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No