Information card for entry 1514477

Structure parameters

• Common name: AEK1071_0m
• Formula: C53 H45 B Co N5
• Calculated formula: C53 H45 B Co N5
• SMILES: c12cccc3C4(c5cccc[n]5[Co]5([n]23)([n]2ccccc42)[n]2ccccc2C1(C)c1cccc[n]51)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway
• Authors of publication: King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 1578
• a: 10.9829 ± 0.0008 Å
• b: 13.7142 ± 0.0009 Å
• c: 17.0064 ± 0.0013 Å
• α: 102.458 ± 0.005°
• β: 107.971 ± 0.005°
• γ: 101.25 ± 0.005°
• Cell volume: 2282.8 ± 0.3 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No