Information card for entry 7027189

Structure parameters

• Common name: L(CuI)3
• Formula: C51 H57 Cu3 I3 N9
• Calculated formula: C51 H57 Cu3 I3 N9
• SMILES: [Cu]1(I)[n]2c(CN(Cc3c(c(c(c(c3CC)CN3Cc4[n]([Cu](I)[n]5c(C3)cccc5)cccc4)CC)CN3Cc4[n]([Cu](I)[n]5c(C3)cccc5)cccc4)CC)Cc3[n]1cccc3)cccc2
• Title of publication: Co-ordination chemistry of CuI with 1,3,5-tris[bis(pyridin-2-ylmethyl)aminomethyl]-2,4,6-triethylbenzene, a conformationally constrained trinucleating ligand
• Authors of publication: Walsdorff, Christian; Park, Sunyoung; Kim, Jeongho; Heo, Jungseok; Park, Ki-Min; Oh, Jinho; Kim, Kimoon
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 6
• Pages of publication: 923
• a: 16.6703 ± 0.0004 Å
• b: 14.0313 ± 0.0004 Å
• c: 22.9276 ± 0.0005 Å
• α: 90°
• β: 104.948 ± 0.001°
• γ: 90°
• Cell volume: 5181.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.079
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No