Information card for entry 7036814

Structure parameters

• Chemical name: catena-[bis(μ~2~-1,6-di(tetrazol-2-yl)hexane)-bis(propionitrile)] -iron(II) diperchlorate
• Formula: C22 H38 Cl2 Fe N18 O8
• Calculated formula: C22 H38 Cl2 Fe N18 O8
• Title of publication: Influence of conformational changes on spin crossover properties and superstructure formation in 2D coordination polymers [Fe(hbtz)2(RCN)2](ClO4)2.
• Authors of publication: Książek, Maria; Kusz, Joachim; Białońska, Agata; Bronisz, Robert; Weselski, Marek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 42
• Pages of publication: 18563 - 18575
• a: 9.495 ± 0.003 Å
• b: 9.667 ± 0.002 Å
• c: 11.668 ± 0.004 Å
• α: 89.51 ± 0.03°
• β: 68.43 ± 0.04°
• γ: 65.88 ± 0.03°
• Cell volume: 896.3 ± 0.6 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No