Information card for entry 1501645

Structure parameters

• Common name: [CoCl(dmgH)2(C5H4N-PO3Et2)]
• Formula: C17 H28 Cl Co N5 O7 P
• Calculated formula: C17 H28 Cl Co N5 O7 P
• SMILES: [Co]12(Cl)([n]3ccc(P(=O)(OCC)OCC)cc3)(N(=O)=C(C(=N1=O)C)C)[N](O)=C(C(=[N]2O)C)C
• Title of publication: Colloidal metal oxide particles loaded with synthetic catalysts for solar H2 production
• Authors of publication: Lakadamyali, Fezile; Kato, Masaru; Reisner, Erwin
• Journal of publication: Faraday Discussions
• Year of publication: 2012
• Journal volume: 155
• Pages of publication: 191
• a: 8.2787 ± 0.0006 Å
• b: 12.8802 ± 0.001 Å
• c: 21.4315 ± 0.0018 Å
• α: 90°
• β: 94.937 ± 0.007°
• γ: 90°
• Cell volume: 2276.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0515
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No