Information card for entry 7119282

Structure parameters

• Formula: C28 H38 N4
• Calculated formula: C28 H38 N4
• SMILES: N(=C(\NC(C)C)c1c2c3c(cccc3ccc2ccc1)C(=N\C(C)C)/NC(C)C)/C(C)C
• Title of publication: Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.
• Authors of publication: Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 1060 - 1063
• a: 17.381 ± 0.003 Å
• b: 8.9219 ± 0.0008 Å
• c: 18.17 ± 0.003 Å
• α: 90°
• β: 114.373 ± 0.011°
• γ: 90°
• Cell volume: 2566.5 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• 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: 0.0898
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No