Information card for entry 7042722

Structure parameters

• Formula: C30 H38 N2 Zn
• Calculated formula: C30 H38 N2 Zn
• SMILES: [Zn]1([n]2ccccc2c2[n]1cccc2)(C1C2CC3CC1CC(C2)C3)C1C2CC3CC(CC1C3)C2
• Title of publication: Adamantyl Metal Complexes: New Routes to Adamantyl Anions and New Transmetallations
• Authors of publication: Armstrong, David; Taullaj, Fioralba; Singh, Kamalpreet; Mirabi, Bijan; Lough, Alan; Fekl, Ulrich Werner
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.5819 ± 0.001 Å
• b: 11.0816 ± 0.001 Å
• c: 11.7087 ± 0.0011 Å
• α: 87.754 ± 0.003°
• β: 66.311 ± 0.003°
• γ: 78.315 ± 0.003°
• Cell volume: 1229.9 ± 0.2 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No