Information card for entry 7042124

Structure parameters

• Formula: C26 H34 Cu4 I8 N4 O
• Calculated formula: C26 H34 Cu4 I8 N4 O
• SMILES: [Cu]123([I][Cu]45([Cu]6781([Cu]([I]27)([I]8)([I]46)I)[I]35)I)I.[nH+]1ccc(cc1)CCCc1cc[nH+]cc1.[nH+]1ccc(CCCc2cc[nH+]cc2)cc1.O
• Title of publication: Di-pyridyl organic cation directed hybrid cuprous halogenides: syntheses, crystal structures and photochromism and photocatalysis.
• Authors of publication: Lei, Xiao-Wu; Yue, Cheng-Yang; Wang, Sai; Gao, Hui; Wang, Wei; Wang, Ning; Yin, Yun-Dong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 4209 - 4217
• a: 14.7211 ± 0.0008 Å
• b: 18.6474 ± 0.0011 Å
• c: 29.9786 ± 0.0017 Å
• α: 90°
• β: 91.494 ± 0.001°
• γ: 90°
• Cell volume: 8226.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No