Information card for entry 4336637

Structure parameters

• Formula: C8 H8 Fe N6 O0.5 Pt S0.25
• Calculated formula: C8 Fe N6 O0.52 Pt S0.26
• Title of publication: Reversible Chemisorption of Sulfur Dioxide in a Spin Crossover Porous Coordination Polymer
• Authors of publication: Zulema Arcís-Castillo; Francisco J. Muñoz-Lara; M. Carmen Muñoz; Daniel Aravena; Ana B. Gaspar; Juan F. Sánchez-Royo; Eliseo Ruiz; Masaaki Ohba; Ryotaro Matsuda; Susumu Kitagawa; José A. Real
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12777 - 12783
• a: 7.162 ± 0.0002 Å
• b: 7.162 ± 0.0002 Å
• c: 6.749 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 346.18 ± 0.02 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No