Information card for entry 1544325

Structure parameters

• Chemical name: [Co(I){(DO)(DOH)pn}(PMePh2)]
• Formula: C24 H32 Co N4 O2 P
• Calculated formula: C24 H32 Co N4 O2 P
• SMILES: [Co]123([P](c4ccccc4)(c4ccccc4)C)[N](O)=C(C(=[N]1CCC[N]2=C(C(=N3=O)C)C)C)C
• Title of publication: Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production
• Authors of publication: Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa
• Journal of publication: Faraday Discuss.
• Year of publication: 2016
• a: 15.072 ± 0.0002 Å
• b: 17.0259 ± 0.0003 Å
• c: 18.8998 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4849.96 ± 0.13 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No