Information card for entry 2018164

Structure parameters

• Chemical name: tetra-<i>tert</i>-butyldi-μ~4~-oxido-bis(tetramethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(μ~2~-2,2,6,6-tetramethylpiperidin-1-ido- κ^2^<i>N</i>:<i>N</i>)disodiumtetrazinc hexane 0.59-solvate
• Formula: C49.54 H112.26 N6 Na2 O2 Zn4
• Calculated formula: C49.54 H112.26 N6 Na2 O2 Zn4
• SMILES: C1(C)(C)[N]2(C(C)(C)CCC1)[Zn](C(C)(C)C)[O]1([Na]23[N](C)(C)CC[N]3(C)C)[Zn](C(C)(C)C)[O]2([Zn](C(C)(C)C)[N]3([Na]24[N](C)(C)CC[N]4(C)C)C(C)(C)CCCC3(C)C)[Zn]1C(C)(C)C.C(CC)CCC
• Title of publication: A μ~4~-oxide-containing a dimeric variant of a sodium dialkyl(amido)zincate reagent
• Authors of publication: Balloch, Liam; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m252 - m254
• a: 27.3191 ± 0.0012 Å
• b: 18.7841 ± 0.0007 Å
• c: 12.7375 ± 0.0006 Å
• α: 90°
• β: 97.565 ± 0.004°
• γ: 90°
• Cell volume: 6479.5 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes