Information card for entry 7105197

Structure parameters

• Formula: C30 H32 Co F12 N6 O2 P2
• Calculated formula: C30 H32 Co F12 N6 O2 P2
• SMILES: [Co]123([N]#CC)([n]4c(C(OC)(c5[n]2cccc5)c2[n]1cccc2)cccc4c1[n]3cccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1CCCC1
• 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: 11.9665 ± 0.0012 Å
• b: 11.8487 ± 0.0012 Å
• c: 25.024 ± 0.002 Å
• α: 90°
• β: 90.723 ± 0.002°
• γ: 90°
• Cell volume: 3547.8 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No