Information card for entry 4311872

Structure parameters

• Formula: C28 H22 Cl Cu N6 O8
• Calculated formula: C28 H22 Cl Cu N6 O8
• SMILES: [O-]Cl(=O)(=O)=O.[Cu]([n]1c(CN2C(=O)c3ccc(cc3C2=O)N)cccc1)[n]1c(CN2C(=O)c3ccc(cc3C2=O)N)cccc1
• Title of publication: In Situ Reduction of Copper(II) Forming an Unusually Air Stable Linear Complex of Copper(I) with a Fluorescent Tag
• Authors of publication: Sandip Banthia; Anunay Samanta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6890 - 6892
• a: 21.536 ± 0.008 Å
• b: 8.172 ± 0.003 Å
• c: 15.408 ± 0.003 Å
• α: 90°
• β: 99.02 ± 0.02°
• γ: 90°
• Cell volume: 2678.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.137
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No