Information card for entry 1515266

Structure parameters

• Formula: C18 H36 Cd N2
• Calculated formula: C18 H36 Cd N2
• SMILES: [Cd](N1C(CCCC1(C)C)(C)C)N1C(CCCC1(C)C)(C)C
• Title of publication: Opening the black box of mixed-metal TMP metallating reagents: direct cadmation or lithium‒cadmium transmetallation?
• Authors of publication: Armstrong, David R.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Robertson, Stuart D.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 2700
• a: 11.8651 ± 0.0004 Å
• b: 11.5596 ± 0.0003 Å
• c: 15.509 ± 0.0006 Å
• α: 90°
• β: 112.201 ± 0.004°
• γ: 90°
• Cell volume: 1969.45 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No