Information card for entry 4330604

Structure parameters

• Chemical name: decachlorobis{2,7,12-trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy) -10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene}pentacopper(II) dimethylformamide clathrate
• Formula: C124 H150 Cl10 Cu5 N14 O26
• Calculated formula: C124 H150 Cl10 Cu5 N14 O26
• Title of publication: Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands
• Authors of publication: James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10657 - 10674
• a: 11.7843 ± 0.0008 Å
• b: 18.9058 ± 0.0012 Å
• c: 24.2187 ± 0.0016 Å
• α: 100.396 ± 0.003°
• β: 101.476 ± 0.003°
• γ: 97.089 ± 0.003°
• Cell volume: 5129.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No