Information card for entry 4331638

Structure parameters

• Formula: C34 H18 Fe N7 O1.5 Pt
• Calculated formula: C34 Fe N7 O1.5 Pt
• Title of publication: Novel Iron(II) Microporous Spin-Crossover Coordination Polymers with Enhanced Pore Size
• Authors of publication: Francisco J. Muñoz-Lara; Ana B. Gaspar; M. Carmen Muñoz; Vadim Ksenofontov; José Antonio Real
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3 - 5
• a: 7.1407 ± 0.0006 Å
• b: 7.1407 ± 0.0006 Å
• c: 20.489 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1044.7 ± 0.2 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: 0.086
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2055
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No