Information card for entry 7109753

Structure parameters

• Common name: [Co(bpma)Cl2]
• Formula: C19 H22 Cl2 Co N4 O
• Calculated formula: C19 H22 Cl2 Co N4 O
• SMILES: [Co]123(Cl)(Cl)[n]4c(C[N]2(C)Cc2[n]1cccc2)cccc4c1[n]3cccc1.OC
• Title of publication: Voltammetric and spectroscopic characterization of early intermediates in the Co(II)-polypyridyl-catalyzed reduction of water
• Authors of publication: Wangkheimayum Marjit Singh; Mohammad Mirmohades; Reuben T. Jane; Travis A. White; Leif Hammarstrom; Anders Thapper; Reiner Lomoth; Sascha Ott
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8638
• a: 8.3723 ± 0.0009 Å
• b: 15.8181 ± 0.0016 Å
• c: 15.0692 ± 0.0016 Å
• α: 90°
• β: 104.561 ± 0.007°
• γ: 90°
• Cell volume: 1931.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0984
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.2394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No