Information card for entry 4000828

Structure parameters

• Common name: Fe(NiPp-TC)Cs.3DMF
• Formula: C57 H45 Cs Fe N7 Ni O11
• Calculated formula: C57 H24 Cs Fe N7 Ni O11
• 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: 7.3599 ± 0.0004 Å
• b: 24.7921 ± 0.0013 Å
• c: 29.7428 ± 0.0016 Å
• α: 90°
• β: 94.438 ± 0.002°
• γ: 90°
• Cell volume: 5410.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1049
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2421
• Weighted residual factors for all reflections included in the refinement: 0.2591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No