Information card for entry 7036610

Structure parameters

• Common name: H2L20b
• Formula: C46 H48 N4 O10
• Calculated formula: C46 H48 N4 O10
• Title of publication: Iron(ii) spin crossover complexes with diaminonaphthalene-based Schiff base-like ligands: mononuclear complexes.
• Authors of publication: Lochenie, Charles; Heinz, Julia; Milius, Wolfgang; Weber, Birgit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18065 - 18077
• a: 7.838 ± 0.005 Å
• b: 12.33 ± 0.005 Å
• c: 21.17 ± 0.005 Å
• α: 88.11 ± 0.005°
• β: 87.73 ± 0.005°
• γ: 86.92 ± 0.005°
• Cell volume: 2040.4 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No