Information card for entry 7234615

Structure parameters

• Formula: C25 H39 Cl2 Cu N9 O2
• Calculated formula: C25 H39 Cl2 Cu N9 O2
• Title of publication: Binding Enabled Catalytic Activation of SO2 by Copper Koneramine Complexes at Ambient Conditions
• Authors of publication: Chahal, Manoj; Raje, Sakthi; Kotana, Gopichand; Angamuthu, Raja
• Journal of publication: Green Chemistry
• Year of publication: 2019
• a: 8.1817 ± 0.0003 Å
• b: 15.7088 ± 0.0007 Å
• c: 24.5591 ± 0.0011 Å
• α: 90°
• β: 95.921 ± 0.001°
• γ: 90°
• Cell volume: 3139.6 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No