Information card for entry 7017425

Structure parameters

• Formula: C34 H62 N10 Na2 Zn
• Calculated formula: C34.004 H62 N10 Na2 Zn
• SMILES: C[N]1(C)CC[N]2(C)CC[N](C)(C)[Na]12.n1(cccc1)[Zn](n1cccc1)(n1cccc1)n1cccc1.[Na]12[N](C)(C)CC[N]1(C)CC[N]2(C)C
• 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: 19.0953 ± 0.0009 Å
• b: 25.2534 ± 0.0013 Å
• c: 17.1703 ± 0.0008 Å
• α: 90°
• β: 102.034 ± 0.005°
• γ: 90°
• Cell volume: 8097.9 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No