Information card for entry 7034356

Structure parameters

• Chemical name: Cd8S(SPh)14(DMF)3 cluster
• Formula: C93 H91 Cd8 N3 O3 S15
• Calculated formula: C93 H91 Cd8 N3 O3 S15
• Title of publication: Photochemical CO2-reduction catalyzed by mono- and dinuclear phenanthroline-extended tetramesityl porphyrin complexes.
• Authors of publication: Matlachowski, Corinna; Schwalbe, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6480 - 6489
• a: 13.9033 ± 0.0003 Å
• b: 18.5803 ± 0.0003 Å
• c: 21.1933 ± 0.0004 Å
• α: 94.839 ± 0.001°
• β: 96.918 ± 0.001°
• γ: 105.839 ± 0.001°
• Cell volume: 5189.06 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No