Information card for entry 4326047

Structure parameters

• Formula: C52 H52 Cl2 Fe Ho0 N6 O4.25 P2
• Calculated formula: C52 H52 Cl2 Fe N6 O4.338 P2
• Title of publication: Dimensionality Control of Vapochromic Hydrogen-Bonded Proton-Transfer Assemblies Composed of a Bis(hydrazone)iron(II) Complex
• Authors of publication: Mee Chang; Atsushi Kobayashi; Kiyohiko Nakajima; Ho-Chol Chang; Masako Kato
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8308 - 8317
• a: 20.7688 ± 0.0019 Å
• b: 12.2448 ± 0.0007 Å
• c: 19.2175 ± 0.0016 Å
• α: 90°
• β: 92.3 ± 0.004°
• γ: 90°
• Cell volume: 4883.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0376
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No