Information card for entry 7105198

Structure parameters

• Formula: C24 H21 F12 N5 O P2 Zn
• Calculated formula: C24 H21 F12 N5 O P2 Zn
• SMILES: [Zn]123([n]4ccccc4c4[n]2c(C(c2[n]3cccc2)(c2[n]1cccc2)OC)ccc4)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Electrocatalytic reduction of protons to hydrogen by a water-compatible cobalt polypyridyl platform.
• Authors of publication: Bigi, Julian P; Hanna, Tamara E; Harman, W Hill; Chang, Alicia; Chang, Christopher J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 958 - 960
• a: 14.027 ± 0.008 Å
• b: 13.671 ± 0.008 Å
• c: 16.289 ± 0.009 Å
• α: 90°
• β: 110.767 ± 0.006°
• γ: 90°
• Cell volume: 2921 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No