Information card for entry 7017421

Structure parameters

• Formula: C18 H34 N4 Zn
• Calculated formula: C18 H34 N4 Zn
• SMILES: [Zn]1(n2cccc2)([N](C)(C)CC[N]1(C)C)C(C)(C)C.[nH]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: 15.6099 ± 0.0002 Å
• b: 9.6563 ± 0.0001 Å
• c: 27.2685 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4110.29 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No