Information card for entry 2012077

Structure parameters

• Chemical name: meso-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane nickel(II) 1,2-phenylenebis(oxamato)cuprate(II) dihydrate
• Formula: C26 H44 N6 Ni2 O8
• Calculated formula: C26 H41 N6 Ni2 O8
• Title of publication: A novel hydrogen-bonded microporous framework constructed from two different metal complexes
• Authors of publication: Gao, En-Qing; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 807 - 809
• a: 10.046 ± 0.0008 Å
• b: 12.4964 ± 0.001 Å
• c: 12.7901 ± 0.001 Å
• α: 92.488 ± 0.002°
• β: 110.247 ± 0.002°
• γ: 99.408 ± 0.002°
• Cell volume: 1477.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No