Information card for entry 7017424

Structure parameters

• Formula: C28 H48 N8 Na2 Zn
• Calculated formula: C28.024 H48 N8 Na2 Zn
• SMILES: [Na]1[N](CC[N]1(C)C)(C)C.c1cccn1[Zn](n1cccc1)(n1cccc1)n1cccc1.[Na]1[N](C)(C)CC[N]1(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: 12.2787 ± 0.0006 Å
• b: 12.2787 ± 0.0006 Å
• c: 11.2091 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1689.96 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No