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Information card for entry 7038404
Preview
Coordinates | 7038404.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H122 Cd2 O30 Ti4 |
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Calculated formula | C66 H102 Cd2 O30 Ti4 |
SMILES | C(C1=[O][Ti]2345[O]=C(C(C)(C)C)O[Cd]67(OC(C(C)(C)C)=[O][Ti]89(O[Ti]%10%11([O]%12[Cd]%13(OC(=[O][Ti]%12(O4)(O1)([O]=C(O3)C(C)(C)C)[O]=C(C(C)(C)C)O%13)C(C)(C)C)(OC(C(C)(C)C)=[O]%10)(OC(C(C)(C)C)=[O]%11)[O]=C(C)C)([O]=C(C(C)(C)C)O9)OC(C(C)(C)C)=[O]8)([O]57)[O]=C(O6)C(C)(C)C)(OC(C(C)(C)C)=[O]2)[O]=C(C)C)(C)(C)C |
Title of publication | A new cadmium-doped titanium-oxo cluster with stable photocatalytic H2 evolution properties. |
Authors of publication | Liu, Jin-Xiu; Zeng, Xian-Chong; Zhang, Lei; Zhang, Jian |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 11 |
Pages of publication | 4501 - 4503 |
a | 14.1591 ± 0.0019 Å |
b | 14.3016 ± 0.0019 Å |
c | 15.0587 ± 0.0019 Å |
α | 111.384 ± 0.002° |
β | 114.428 ± 0.001° |
γ | 98.357 ± 0.004° |
Cell volume | 2422.4 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0873 |
Residual factor for significantly intense reflections | 0.0772 |
Weighted residual factors for significantly intense reflections | 0.2596 |
Weighted residual factors for all reflections included in the refinement | 0.2679 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7038404.html
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