Information card for entry 1544324

Structure parameters

• Chemical name: [Co(I){(DO)(DOH)pn}(PPh3)]
• Formula: C29 H34 Co N4 O2 P
• Calculated formula: C29 H34 Co N4 O2 P
• SMILES: [Co]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)[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: 9.0606 ± 0.0002 Å
• b: 9.2632 ± 0.0002 Å
• c: 18.0169 ± 0.0005 Å
• α: 95.238 ± 0.001°
• β: 99.314 ± 0.001°
• γ: 114.659 ± 0.001°
• Cell volume: 1334.71 ± 0.06 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No