Information card for entry 7103949

Structure parameters

• Formula: C36 H48 N4 Zn2
• Calculated formula: C36 H48 N4 Zn2
• SMILES: C1[N]2(Cc3ccccc3)[Zn]3(CC)[NH](Cc4ccccc4)CC[N]3(Cc3ccccc3)[Zn]2(CC)[NH](Cc2ccccc2)C1
• Title of publication: Direct Zn‒diamine promoted reduction of C=O and C=N bonds by polymethylhydrosiloxane in methanol
• Authors of publication: Bette, Virginie; Mortreux, André; Lehmann, Christian W.; Carpentier, Jean-François
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 332 - 333
• a: 8.6479 ± 0.0004 Å
• b: 19.4712 ± 0.0009 Å
• c: 19.5345 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3289.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No