Information card for entry 4514880

Structure parameters

• Formula: C23 H30 Br Mn N2 O9 P2
• Calculated formula: C23 H30 Br Mn N2 O9 P2
• SMILES: Br[Mn]1([n]2ccc(cc2c2[n]1ccc(c2)CP(=O)(OCC)OCC)CP(=O)(OCC)OCC)(C#[O])(C#[O])C#[O]
• Title of publication: Highly Selective and Durable Photochemical CO2 Reduction by Molecular Mn(I) Catalyst Fixed on a Particular Dye-Sensitized TiO2 Platform
• Authors of publication: Woo, Sung-Jun; Choi, Sunghan; Kim, So-Yoen; Kim, Pil Soo; Jo, Ju Hyoung; Kim, Chul Hoon; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 2580
• a: 11.5014 ± 0.0009 Å
• b: 12.237 ± 0.001 Å
• c: 12.4559 ± 0.0009 Å
• α: 61.15 ± 0.002°
• β: 71.428 ± 0.003°
• γ: 73.307 ± 0.003°
• Cell volume: 1436.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No