Information card for entry 7009668

Structure parameters

• Formula: C13 H30 Fe I2 N6
• Calculated formula: C13 H30 Fe I2 N6
• SMILES: I[Fe]1(I)[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: 9.466 ± 0.002 Å
• b: 10.473 ± 0.003 Å
• c: 12.86 ± 0.003 Å
• α: 69.3 ± 0.02°
• β: 87.65 ± 0.02°
• γ: 63.96 ± 0.02°
• Cell volume: 1061.6 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No