Information card for entry 7041940

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: 9.9958 ± 0.0004 Å
• b: 12.3264 ± 0.0005 Å
• c: 14.0179 ± 0.0006 Å
• α: 67.9707 ± 0.0016°
• β: 89.4411 ± 0.0015°
• γ: 87.1956 ± 0.0013°
• Cell volume: 1599.09 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No