Information card for entry 7059111

Structure parameters

• Formula: C32 H42 Cu2 I2 N10
• Calculated formula: C32 H42 Cu2 I2 N10
• Title of publication: New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand
• Authors of publication: Jana, Oishi; Mani, Ganesan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 9361
• a: 18.092 ± 0.005 Å
• b: 18.092 ± 0.005 Å
• c: 21.761 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7123 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No