Information card for entry 7010123

Structure parameters

• Formula: C22 H54 N6 Zn2
• Calculated formula: C22 H54 N6 Zn2
• SMILES: C[Zn]1(C)[N]2(CCN(CC[N]3(CC[N](CCN(CC[N]1(CC2)C)C)(C)[Zn]3(C)C)C)C)C
• Title of publication: Dimethylzinc adducts with macrocyclic amines
• Authors of publication: Coward, Kathleen M.; Jones, Anthony C.; Steiner, Alexander; Bickley, Jamie F.; Smith, Lesley M.; Pemble, Martyn E.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 3480
• a: 12.5 ± 0.002 Å
• b: 8.1763 ± 0.0008 Å
• c: 14.442 ± 0.002 Å
• α: 90°
• β: 109.052 ± 0.018°
• γ: 90°
• Cell volume: 1395.2 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No