Information card for entry 4333769

Structure parameters

• Formula: C19 H15 N5
• Calculated formula: C19 H15 N5
• SMILES: c1ccn(c2cc(cc(n2)n2cccn2)/C=C/c2ccccc2)n1
• 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: 6.9727 ± 0.0016 Å
• b: 18.497 ± 0.004 Å
• c: 24.123 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3111.2 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No