Information card for entry 7041875

Structure parameters

• Formula: C90 H106 B4 Cl20 F16 Fe N16 Pt2
• Calculated formula: C90 H106 B4 Cl20 F16 Fe N16 Pt2
• Title of publication: A luminescent Pt2Fe spin crossover complex.
• Authors of publication: Schäfer, Bernhard; Bauer, Thomas; Faus, Isabelle; Wolny, Juliusz A.; Dahms, Fabian; Fuhr, Olaf; Lebedkin, Sergei; Wille, Hans-Christian; Schlage, Kai; Chevalier, Katharina; Rupp, Fabian; Diller, Rolf; Schünemann, Volker; Kappes, Manfred M.; Ruben, Mario
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 2289 - 2302
• a: 32.648 ± 0.0008 Å
• b: 19.9969 ± 0.0005 Å
• c: 17.9521 ± 0.0004 Å
• α: 90°
• β: 97.533 ± 0.002°
• γ: 90°
• Cell volume: 11619 ± 0.5 ų
• Cell temperature: 180.15 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No