Information card for entry 7017426

Structure parameters

• Formula: C26 H54 N8 Na2
• Calculated formula: C25.91 H54 N7.97 Na2
• SMILES: [Na]123([N](CC[N]2(C)C)(C)CC[N]1(C)C)[n]1(cccc1)[Na]12([N](CC[N]2(C)C)(C)CC[N]1(C)C)[n]13cccc1
• Title of publication: Neutral zinc, lower-order zincate and higher-order zincate derivatives of pyrrole: synthesis and structural characterisation of zinc complexes with one, two, three or four pyrrolyl ligands.
• Authors of publication: Garden, Jennifer A.; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11945 - 11954
• a: 9.3617 ± 0.0005 Å
• b: 9.638 ± 0.0004 Å
• c: 18.0907 ± 0.0008 Å
• α: 90°
• β: 100.702 ± 0.005°
• γ: 90°
• Cell volume: 1603.9 ± 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: 0.0843
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1589
• 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: Yes
• Has Fobs: No