Information card for entry 7703844

Structure parameters

• Formula: C20 H12 Fe N8 Pd
• Calculated formula: C20 H12 Fe N8 Pd
• Title of publication: Spin crossover in 2D iron(ii) phthalazine cyanometallic complexes.
• Authors of publication: Hiiuk, Volodymyr M.; Shova, Sergiu; Rotaru, Aurelian; Golub, Alexander A.; Fritsky, Igor O.; Gural'skiy, Il'ya A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5302 - 5311
• a: 7.0962 ± 0.0007 Å
• b: 7.1676 ± 0.0007 Å
• c: 10.1546 ± 0.0016 Å
• α: 71.083 ± 0.011°
• β: 74.381 ± 0.011°
• γ: 89.881 ± 0.008°
• Cell volume: 468.49 ± 0.11 ų
• Cell temperature: 200.05 ± 0.1 K
• Ambient diffraction temperature: 200.05 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No