Information card for entry 4316996

Structure parameters

• Formula: C38 H42 Cl4 Cu6 N18 O8
• Calculated formula: C38 H42 Cl4 Cu6 N18 O8
• SMILES: c1[n]2c(C(C)=[N]3[Cu]452[Cl][Cu]26([O]4(C)[Cu]4([Cl][Cu]789[N](=C(c%10cncc[n]7%10)C)O[Cu]7%10%11[Cl][Cu]%12([N](=C(c%13cncc[n]%12%13)C)O8)([O]9%10C)O[N]%11=C(c8cncc[n]78)C)([n]7ccncc7C(=[N]4O2)C)O3)[N](=C(c2cncc[n]62)C)O5)cnc1.[Cl-]
• Title of publication: Anionic Tuning of the Dimensionality in Copper Oximato Chemistry
• Authors of publication: Albert Escuer; Beatriz Cordero; Mercè Font-Bardia; Teresa Calvet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9752 - 9754
• a: 14.333 ± 0.006 Å
• b: 24.72 ± 0.01 Å
• c: 18.872 ± 0.007 Å
• α: 90°
• β: 97.282 ± 0.014°
• γ: 90°
• Cell volume: 6633 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1445
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2018
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No