Information card for entry 7009665

Structure parameters

• Formula: C13 H32 Cl2 N6
• Calculated formula: C13 H32 Cl2 N6
• SMILES: [Cl-].[Cl-].[NH+](CCC[NH+]=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: 30.892 ± 0.019 Å
• b: 7.897 ± 0.004 Å
• c: 19.834 ± 0.011 Å
• α: 90°
• β: 128.53 ± 0.03°
• γ: 90°
• Cell volume: 3785 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0933
• 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