Information card for entry 7102803

Structure parameters

• Formula: C29 H50 N3 Na Zn
• Calculated formula: C29 H50 N3 Na Zn
• SMILES: C[C@H](c1ccccc1)[N](Cc1ccccc1)([Zn](C(C)(C)C)C(C)(C)C)[Na]1[N](C)(CC[N]1(C)C)C
• Title of publication: Transamination chemistry of sodium TMP-zincate: synthesis and crystal structure of a chiral amidozincate
• Authors of publication: Armstrong, David R.; Clegg, William; Dale, Sophie H.; García-Álvarez, Joaquín; Harrington, Ross W.; Hevia, Eva; Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 187 - 189
• a: 8.9412 ± 0.0002 Å
• b: 17.3511 ± 0.0006 Å
• c: 20.87 ± 0.0007 Å
• α: 90°
• β: 98.524 ± 0.002°
• γ: 90°
• Cell volume: 3202 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No