Information card for entry 1576566

Structure parameters

• Formula: C12.5 H13 Cl0.5 Co0.5 N2 O3.5
• Calculated formula: C12.5 H13 Cl0.5 Co0.5 N2 O3.5
• Title of publication: Active control of forward/backward charge transfer in Z-scheme water splitting: manipulating electrostatic affinity/repulsion between photocatalyst surface and electron mediator
• Authors of publication: Itagaki, Ren; Nakada, Akinobu; Suzuki, Hajime; Tomita, Osamu; Abe, Ryu
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 17.2915 ± 0.0011 Å
• b: 13.2926 ± 0.0006 Å
• c: 14.2063 ± 0.0008 Å
• α: 90°
• β: 122.833 ± 0.006°
• γ: 90°
• Cell volume: 2743.7 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• 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: 0.0812
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No