Information card for entry 7217826

Structure parameters

• Formula: C48 H70 Cl3 Cu4 N15 O21
• Calculated formula: C48 H36 Cl3 Cu4 N15 O21
• Title of publication: Simultaneous co-ordination of three cytosine ligands displaying different binding sites around the copper centres
• Authors of publication: Patil, Yogesh; Nethaji, Munirathinam
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 20.653 ± 0.005 Å
• b: 24.066 ± 0.005 Å
• c: 26.128 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12987 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No