Information card for entry 2224089

Structure parameters

• Chemical name: Bis{(1-methylimidazol-2-ylmethyl)[2-(2-pyridyl)ethyl]amine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc(II) bis(hexafluoridophosphate)
• Formula: C24 H32 F12 N8 P2 Zn
• Calculated formula: C24 H32 F12 N8 P2 Zn
• SMILES: C1c2[n](cc[n]2C)[Zn]234([NH]1CCc1cccc[n]21)[NH](Cc1[n]3ccn1C)CCc1cccc[n]41.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis{(1-methylimidazol-2-ylmethyl)[2-(2-pyridyl)ethyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc(II) bis(hexafluoridophosphate)
• Authors of publication: Wu, Ai-Zhi; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1479
• a: 13.3147 ± 0.0005 Å
• b: 11.8147 ± 0.0004 Å
• c: 20.3359 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3199.02 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes