Information card for entry 4340642

Structure parameters

• Formula: C34 H38 Fe2 N12 O5 Pt2 Se2
• Calculated formula: C34 H34 Fe2 N12 O5 Pt2 Se2
• Title of publication: Thermal- and Light-Induced Spin-Crossover Bistability in a Disrupted Hofmann-Type 3D Framework.
• Authors of publication: Sciortino, Natasha F.; Neville, Suzanne M.; Létard, Jean-François; Moubaraki, Boujemaa; Murray, Keith S.; Kepert, Cameron J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 7886
• a: 10.9555 ± 0.0011 Å
• b: 14.7173 ± 0.0014 Å
• c: 14.4397 ± 0.0015 Å
• α: 85.062 ± 0.005°
• β: 78.378 ± 0.005°
• γ: 69.983 ± 0.005°
• Cell volume: 2142.3 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No