Information card for entry 7105945

Structure parameters

• Common name: (NEt3H)[CoCl(dmgH)2(C5H4N-PO3H)]*0.5MeOH
• Formula: C19.5 H37 Cl Co N6 O7.5 P
• Calculated formula: C19.5 H37 Cl Co N6 O7.5 P
• Title of publication: Photocatalytic H2 Evolution from Neutral Water with a Molecular Cobalt Catalyst on a Dye-sensitised TiO2 Nanoparticle
• Authors of publication: Fezile Lakadamyali; Erwin Reisner
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1695
• a: 8.171 ± 0.005 Å
• b: 12.998 ± 0.005 Å
• c: 14.602 ± 0.005 Å
• α: 113.768 ± 0.005°
• β: 99 ± 0.005°
• γ: 97.294 ± 0.005°
• Cell volume: 1370.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No