Information card for entry 7230380

Structure parameters

• Formula: C116 H88 Cl6 N8
• Calculated formula: C116 H88 Cl6 N8
• Title of publication: A supramolecular photocatalyst composed of a polyoxometalate and a photosensitizing water-soluble porphyrin diacid for the oxidation of organic substrates in water
• Authors of publication: Ishizuka, Tomoya; Ohkawa, Shumpei; Ochiai, Hidemi; Hashimoto, Muneaki; Ohkubo, Kei; Kotani, Hiroaki; Sadakane, Masahiro; Fukuzumi, Shunichi; Kojima, Takahiko
• Journal of publication: Green Chemistry
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 1975
• a: 43.317 ± 0.009 Å
• b: 23.984 ± 0.004 Å
• c: 28.932 ± 0.007 Å
• α: 90°
• β: 117.762 ± 0.004°
• γ: 90°
• Cell volume: 26598 ± 10 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1566
• Residual factor for significantly intense reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.3221
• Weighted residual factors for all reflections included in the refinement: 0.3485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No