Information card for entry 7704919

Structure parameters

• Formula: C50 H0 Mo4 O29 Ti4
• Calculated formula: C50 Mo4 O29 Ti4
• SMILES: [Mo]12345([Mo]678([O]9[Mo]%10%11([Mo]%12%139([O]96[Ti]6([O]%12CC)([O]([Ti]9([O]%13C(C)C)([O]=C(O6)c6ccccc6)(OC(C)C)OC(C)C)CC)([O]8C(C)C)OCC)(O%10)=O)([O]([Ti]68([O]1CC)([O]([Ti]([O]3CC)(OC(C)C)([O]5%116)([O]=C(O8)c1ccccc1)OC(C)C)CC)OC(C)C)C(C)C)([O]27)=O)(O4)=O)=O.O
• Title of publication: Molybdenum-titanium oxo-cluster, an efficient electrochemical catalyst for the facile preparation of black titanium dioxide film.
• Authors of publication: Yang, Lei; Shu, Xian-Ping; Fu, Meng-Yuan; Wang, Hao-Yu; Zhu, Qin-Yu; Dai, Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 30
• Pages of publication: 10516 - 10522
• a: 19.4496 ± 0.0015 Å
• b: 11.4429 ± 0.0009 Å
• c: 29.881 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6650.3 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No