Information card for entry 7027188

Structure parameters

• Common name: L
• Chemical name: 1,3,5-tris(bis(pyrid-2-ylmethyl)amino)methyl-2,4,6- triethyl-benzene
• Formula: C51 H57 N9
• Calculated formula: C51 H57 N9
• SMILES: n1c(CN(Cc2c(c(c(c(c2CC)CN(Cc2ncccc2)Cc2ncccc2)CC)CN(Cc2ncccc2)Cc2ccccn2)CC)Cc2ncccc2)cccc1
• 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: 12.0751 ± 0.0003 Å
• b: 12.4215 ± 0.0003 Å
• c: 16.7708 ± 0.0001 Å
• α: 85.288 ± 0.002°
• β: 81.273 ± 0.001°
• γ: 67.557 ± 0.001°
• Cell volume: 2297.22 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.151
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections: 0.2783
• Weighted residual factors for significantly intense reflections: 0.2058
• Goodness-of-fit parameter for all reflections: 0.902
• Goodness-of-fit parameter for significantly intense reflections: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No