Information card for entry 4324199

Structure parameters

• Formula: C27 H39 N2 Ni O8
• Calculated formula: C27 H39 N2 Ni O8
• Title of publication: Guest-Specific Double- or Single-Step Adsorption in a Flexible Porous Framework Based on a Mixed-Ligand System
• Authors of publication: Prakash Kanoo; R. Sambhu; Tapas Kumar Maji
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 400 - 402
• a: 12.4421 ± 0.0003 Å
• b: 15.0196 ± 0.0003 Å
• c: 15.1013 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2822.06 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.729
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No