Information card for entry 7009666

Structure parameters

• Formula: C13 H30 Cu I N6
• Calculated formula: C13 H30 Cu I N6
• SMILES: I[Cu]1[N](CCC[N]1=C(N(C)C)N(C)C)=C(N(C)C)N(C)C
• Title of publication: 1,3-Bis(N,N,N',N'-tetramethylguanidino)propane: synthesis, characterization and bonding properties of the first bidentate, peralkylated guanidine ligand †
• Authors of publication: Pohl, Siegfried; Harmjanz, Michael; Schneider, Jörg; Saak, Wolfgang; Henkel, Gerald
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 3473
• a: 7.839 ± 0.002 Å
• b: 9.864 ± 0.004 Å
• c: 25.026 ± 0.008 Å
• α: 90°
• β: 96.72 ± 0.02°
• γ: 90°
• Cell volume: 1921.8 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0724
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No