Information card for entry 7212724

Structure parameters

• Formula: C29 H26 Cl Cu N9 O6 S2
• Calculated formula: C29 H26 Cl Cu N9 O6 S2
• Title of publication: Proficiency of the electron-deficient 1,3,5-triazine ring to generate anion–π and lone pair–π interactions
• Authors of publication: Costa, José Sánchez; Castro, Adriana Gonzalez; Pievo, Roberta; Roubeau, Olivier; Modec, Barbara; Kozlevčar, Bojan; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3057
• a: 8.3369 ± 0.0007 Å
• b: 13.57 ± 0.0011 Å
• c: 28.493 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3223.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No