Information card for entry 7017423

Structure parameters

• Formula: C24 H36 N3 Na O3 Zn
• Calculated formula: C24 H36 N3 Na O3 Zn
• SMILES: [Zn]([O]1CCCC1)(n1cccc1)(n1cccc1)n1cccc1.[Na+]([O]1CCCC1)[O]1CCCC1
• 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: 8.3429 ± 0.0002 Å
• b: 11.0909 ± 0.0003 Å
• c: 14.1002 ± 0.0003 Å
• α: 94.178 ± 0.002°
• β: 104.038 ± 0.002°
• γ: 95.994 ± 0.002°
• Cell volume: 1252.28 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No