Information card for entry 4315572

Structure parameters

• Chemical name: catena-[bis(μ~2~-1,6-di(tetrazol-2-yl)hexane)-bis(acetonitrile)]-iron(II) diperchlorate
• Formula: C20 H34 Cl2 Fe N18 O8
• Calculated formula: C20 H34 Cl2 Fe N18 O8
• Title of publication: High Spin and Spin-Crossover Two-Dimensional Coordination Polymers Containing FeII(tetrazol-2-yl)4(solv)2 (solv = Ethanol, Acetonitrile) Cores Linked by Flexible/Elastic Spacers
• Authors of publication: Agata Białońska; Robert Bronisz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4534 - 4542
• a: 9.49 ± 0.002 Å
• b: 9.344 ± 0.002 Å
• c: 11.44 ± 0.003 Å
• α: 70.12 ± 0.03°
• β: 90.7 ± 0.03°
• γ: 65.86 ± 0.04°
• Cell volume: 856.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No