Information card for entry 7011339

Structure parameters

• Formula: C62 H62 N4 Zn2
• Calculated formula: C62 H62 N4 Zn2
• SMILES: C(c1ccccc1)[N]1(Cc2ccccc2)[Zn]2(N(Cc3ccccc3)Cc3ccccc3)[N](Cc3ccccc3)(Cc3ccccc3)[Zn]12N(Cc1ccccc1)Cc1ccccc1.c1ccccc1
• Title of publication: An unexpected transamination of bis[bis(trimethylsilyl)amido]zinc with dibenzylamine to form bis(dibenzylamido)zinc: structural studies by NMR spectroscopy, X-ray crystallography and theoretical calculations
• Authors of publication: David R. Armstrong; Glenn C. Forbes; Robert E. Mulvey; William Clegg; Duncan M. Tooke
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1656 - 1661
• a: 10.153 ± 0.0007 Å
• b: 12.1247 ± 0.0008 Å
• c: 12.6655 ± 0.0009 Å
• α: 67.811 ± 0.002°
• β: 73.637 ± 0.002°
• γ: 65.482 ± 0.002°
• Cell volume: 1298.97 ± 0.16 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No