Information card for entry 7107635

Structure parameters

• Formula: C8.5 H6 Fe N7 Pd S0.5
• Calculated formula: C8.52 Fe N7 Pd S0.52
• Title of publication: Enhanced bistability by guest inclusion in Fe(II) spin crossover porous coordination polymers
• Authors of publication: Francisco J. Munoz Lara; Ana B. Gaspar; Daniel Aravena; Eliseo Ruiz; M. Carmen Munoz; Masaaki Ohba; Ryo Ohtani; Susumu Kitagawa; Jose A. Real
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4686
• a: 7.207 ± 0.0012 Å
• b: 7.207 ± 0.0012 Å
• c: 6.798 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 353.09 ± 0.18 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• 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: 0.112
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No