Information card for entry 7034655

Structure parameters

• Formula: C24 H45 Cl3 Cu2 N8 O15
• Calculated formula: C24 H45 Cl3 Cu2 N8 O15
• Title of publication: Correlation between the molecular structure and the kinetics of decomposition of azamacrocyclic copper(ii) complexes.
• Authors of publication: Acosta-Rueda, Laura; Delgado-Pinar, Estefanía; Pitarch-Jarque, Javier; Rodríguez, Alexis; Blasco, Salvador; González, Jorge; Basallote, Manuel G.; García-España, Enrique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 8255 - 8266
• a: 16.462 ± 0.0003 Å
• b: 13.545 ± 0.0004 Å
• c: 16.651 ± 0.0006 Å
• α: 90°
• β: 104.723 ± 0.002°
• γ: 90°
• Cell volume: 3590.9 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No