Information card for entry 7700492

Structure parameters

• Formula: C97 H106 Cl0 Cu2 F6 N5 O8.5 P4 S2
• Calculated formula: C97 H106 Cu2 F6 N5 O8.5 P4 S2
• Title of publication: Bis(diphenylphosphinyl)-functionalized dipyrido-annulated NHC towards copper(i) and silver(i).
• Authors of publication: Zhang, Sihan; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Ohshita, Joji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 32
• Pages of publication: 12250 - 12256
• a: 13.0789 ± 0.0017 Å
• b: 20.41 ± 0.003 Å
• c: 34.694 ± 0.005 Å
• α: 90°
• β: 92.526 ± 0.002°
• γ: 90°
• Cell volume: 9252 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No