Information card for entry 4310553

Structure parameters

• Common name: iPr-L-Xan-H2
• Formula: C29 H42 N4 O
• Calculated formula: C29 H42 N4 O
• SMILES: O1c2c(C(=N\C(C)C)/NC(C)C)cccc2C(C)(C)c2c1c(ccc2)/C(=N\C(C)C)NC(C)C
• Title of publication: Synthesis and Characterization of Binucleating Bis(amidinate) Ligands and Their Dialuminum Complexes
• Authors of publication: Bronya Clare; Niladri Sarker; Richard Shoemaker; John R. Hagadorn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1159 - 1166
• a: 10.272 ± 0.002 Å
• b: 19.329 ± 0.004 Å
• c: 13.991 ± 0.003 Å
• α: 90°
• β: 96.24 ± 0.03°
• γ: 90°
• Cell volume: 2761.4 ± 1 ų
• Cell temperature: 134 ± 2 K
• Ambient diffraction temperature: 134 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No