Information card for entry 7030025

Structure parameters

• Formula: C19 H32 Cl3 Cu N5 O16
• Calculated formula: C19 H32 Cl3 Cu N5 O16
• Title of publication: CO2 fixation by dicopper(ii) complexes in hypodentate framework of N8O2.
• Authors of publication: Ho, Yi-Hsueh; Chang, Mu-Chieh; Yu, Kuo-Hsuan; Liu, Yi-Hung; Wang, Yu; Cheng, Yuan-Chung; Chen, Jwu-Ting
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6287 - 6290
• a: 34.2225 ± 0.0006 Å
• b: 8.2604 ± 0.0002 Å
• c: 21.3491 ± 0.0004 Å
• α: 90°
• β: 100.531 ± 0.002°
• γ: 90°
• Cell volume: 5933.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No