Information card for entry 7041944

Structure parameters

• Formula: C28 H44 Cl4 Cu N2 O10
• Calculated formula: C28 H44 Cl4 Cu N2 O10
• 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: 9.7962 ± 0.0004 Å
• b: 16.0447 ± 0.0008 Å
• c: 11.0491 ± 0.0005 Å
• α: 90°
• β: 90.9641 ± 0.0014°
• γ: 90°
• Cell volume: 1736.42 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No