Information card for entry 7041016

Structure parameters

• Formula: C30 H32 Fe N10 O9
• Calculated formula: C30 H22 Fe N10 O9
• Title of publication: Hydrogen-bonded networks of [Fe(bpp)2](2+) spin crossover complexes and dicarboxylate anions: structural and photomagnetic properties.
• Authors of publication: Jornet-Mollá, Verónica; Duan, Yan; Giménez-Saiz, Carlos; Waerenborgh, João C; Romero, Francisco M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17918 - 17928
• a: 8.1799 ± 0.0004 Å
• b: 8.0776 ± 0.0004 Å
• c: 25.926 ± 0.0012 Å
• α: 90.532 ± 0.004°
• β: 93.15 ± 0.004°
• γ: 89.37 ± 0.004°
• Cell volume: 1710.28 ± 0.14 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1966
• Residual factor for significantly intense reflections: 0.1275
• Weighted residual factors for significantly intense reflections: 0.3066
• Weighted residual factors for all reflections included in the refinement: 0.358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No