Information card for entry 7102094

Structure parameters

• Formula: C27 H23 Cu4 N11 O4.5
• Calculated formula: C27 H23 Cu4 N11 O4.5
• Title of publication: pH-Induced formation of metalloligand: increasing structure dimensionality by tuning number of ligand functional sites.
• Authors of publication: Ni, Wen-Xiu; Li, Mian; Zhou, Xiao-Ping; Li, Zhen; Huang, Xiao-Chun; Li, Dan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 33
• Pages of publication: 3479 - 3481
• a: 21.9969 ± 0.0015 Å
• b: 7.3578 ± 0.0005 Å
• c: 20.3447 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3292.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No