Information card for entry 7028866

Structure parameters

• Common name: Fe12a(bipy)
• Formula: C33 H42 Fe N4 O11
• Calculated formula: C33 H42 Fe N4 O11
• Title of publication: Synthesis and characterization of 1D iron(II) spin crossover coordination polymers with hysteresis.
• Authors of publication: Bauer, Wolfgang; Lochenie, Charles; Weber, Birgit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 1990 - 1999
• a: 11.1275 ± 0.0018 Å
• b: 16.408 ± 0.002 Å
• c: 21.317 ± 0.003 Å
• α: 90°
• β: 115.206 ± 0.011°
• γ: 90°
• Cell volume: 3521.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No