Information card for entry 7041946

Structure parameters

• Formula: C26 H38 Cl4 Cu N2 O9
• Calculated formula: C26 H38 Cl4 Cu N2 O9
• Title of publication: Structural transformations of layered structures constructed from Cu(ii)-chloranilate monomer compounds.
• Authors of publication: Yagishita, Sadahiro; Himegi, Akiko; Kanazashi, Ken; Ohishi, Tomomi; Ishikawa, Ryuta; Hamaguchi, Tomohiko; Kawata, Satoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2966 - 2973
• a: 9.9903 ± 0.0003 Å
• b: 12.3925 ± 0.0003 Å
• c: 14.1213 ± 0.0003 Å
• α: 68.4083 ± 0.0007°
• β: 89.2403 ± 0.0009°
• γ: 86.7971 ± 0.0011°
• Cell volume: 1623.02 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No