Information card for entry 7056359

Structure parameters

• Formula: C71 H51 Cu4 I4 N7 O6
• Calculated formula: C71 H50.9997 Cu4 I4 N7 O6
• Title of publication: Solvent-mediated single-crystal-to-single-crystal transformation from dimeric to tetrameric copper(I) complex based on a substituted pyridine derived from the Diels-Alder adduct
• Authors of publication: razali, mohd rizal; Zhan, Shun-Ze; Tai Wei, Chan
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 15.7192 ± 0.0013 Å
• b: 15.7192 ± 0.0013 Å
• c: 15.4669 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3309.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No