Information card for entry 4000830

Structure parameters

• Common name: Fe(NiPp-TC)Cs
• Formula: C24 H12 Cs0.5 Fe0.5 N2 Ni0.5 O4
• Calculated formula: C24 H12 Cs0.5 Fe0.5 N2 Ni0.5 O4
• Title of publication: Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives
• Authors of publication: Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 4641
• a: 7.3772 ± 0.0013 Å
• b: 24.965 ± 0.004 Å
• c: 29.96 ± 0.005 Å
• α: 90°
• β: 93.307 ± 0.004°
• γ: 90°
• Cell volume: 5508.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1455
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No