Information card for entry 7041015

Structure parameters

• Formula: C32 H32 Fe N10 O7
• Calculated formula: C32 H32 Fe N10 O7
• 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: 8.0628 ± 0.0004 Å
• b: 16.4572 ± 0.0007 Å
• c: 24.6825 ± 0.0011 Å
• α: 98.352 ± 0.004°
• β: 90.601 ± 0.004°
• γ: 93.125 ± 0.004°
• Cell volume: 3235 ± 0.3 ų
• Cell temperature: 128 ± 1 K
• Ambient diffraction temperature: 128 ± 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: 0.1801
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No