Information card for entry 4109998

Structure parameters

• Common name: [Ni(tame)2]1(PES)2
• Chemical name: bis(1,1,1-tris(aminomethyl)ethane)nickel(II)di(2-phenylethynesulfonate)
• Formula: C26 H39.94 N6 Ni O6 S2
• Calculated formula: C26 H39.94 N6 Ni O6 S2
• Title of publication: Crystal Engineering of a Permanently Porous Network Sustained Exclusively by Charge-Assisted Hydrogen Bonds
• Authors of publication: Sean A. Dalrymple; George K. H. Shimizu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12114 - 12116
• a: 13.862 ± 0.005 Å
• b: 13.862 ± 0.005 Å
• c: 13.784 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2293.8 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No