Information card for entry 4310286

Structure parameters

• Formula: C24 H32 Cl2 Fe N10 O8
• Calculated formula: C24 H32 Cl2 Fe N10 O8
• Title of publication: Cooperative Spin Crossover and Order-Disorder Phenomena in a Mononuclear Compound [Fe(DAPP)(abpt)](ClO4)2 [DAPP = [Bis(3-aminopropyl)(2-pyridylmethyl)amine], abpt = 4-Amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]
• Authors of publication: Galina S. Matouzenko; Azzedine Bousseksou; Serguei A. Borshch; Monique Perrin; Samir Zein; Lionel Salmon; Gabor Molnar; Sylvain Lecocq
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 227 - 236
• a: 9.4249 ± 0.0002 Å
• b: 26.5258 ± 0.0009 Å
• c: 12.4093 ± 0.0004 Å
• α: 90°
• β: 97.787 ± 0.002°
• γ: 90°
• Cell volume: 3073.75 ± 0.16 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1473
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No