Information card for entry 7707591

Structure parameters

• Formula: C8 H6 Fe N10 Pt
• Calculated formula: C8 H6 Fe N10 Pt
• Title of publication: Spin crossover in iron(II) Hofmann clathrates analogues with 1,2,3-triazole.
• Authors of publication: Kuzevanova, Iryna S.; Kucheriv, Olesia I.; Hiiuk, Volodymyr M.; Naumova, Dina D.; Shova, Sergiu; Shylin, Sergii I.; Kotsyubynsky, Volodymyr O.; Rotaru, Aurelian; Fritsky, Igor O.; Gural'skiy, Il'ya A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 26
• Pages of publication: 9250 - 9258
• a: 13.8736 ± 0.0009 Å
• b: 7.1949 ± 0.0004 Å
• c: 12.8934 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1287.01 ± 0.19 ų
• Cell temperature: 169.9 ± 0.2 K
• Ambient diffraction temperature: 169.9 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No