Information card for entry 7010498

Structure parameters

• Formula: C22 H32 Br N4
• Calculated formula: C22 H32 Br N4
• SMILES: [NH+](=C(C(NC(C)(C)C)=Nc1ccccc1)Nc1ccccc1)C(C)(C)C.[Br-]
• Title of publication: Synthesis and catalytic properties of oxalic amidinato complexes
• Authors of publication: Chen, Chi-Tien; Rees, Leigh H.; Cowley, Andrew R.; Green, Malcolm L. H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 11
• Pages of publication: 1761
• a: 14.053 ± 0.0006 Å
• b: 10.058 ± 0.0006 Å
• c: 17.505 ± 0.001 Å
• α: 90°
• β: 113.913 ± 0.003°
• γ: 90°
• Cell volume: 2261.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections: 0.1077
• Weighted residual factors for significantly intense reflections: 0.0932
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No