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Information card for entry 7119818
Preview
Coordinates | 7119818.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H142 Cl4 Cu2 O34 Ti12 |
---|---|
Calculated formula | C60 H142 Cl4 Cu2 O34 Ti12 |
SMILES | CC(C)O[Ti]123[O]4[Ti]56([O]7[Ti]89([O]5[Ti]5%10%11([O]9[Ti]9%12([O]8[Ti]8%13%14([O]%15[Ti]47([O]%13C(C)C)(OC(C)C)[O](C(C)C)[Ti]4%15([O]8C(C)C)([O]7[Ti]8([O]9[Ti]9%13([O]5C(C)C)([O]8[Ti]7([O]2[Ti]([O]16)([O]%109)(OC(C)C)([O]%11C(C)C)[O]%13C(C)C)([O]34)OC(C)C)OC(C)C)([O]%12%14)OC(C)C)OC(C)C)OC(C)C)OC(C)C)OC(C)C)OC(C)C)OC(C)C.[Cu](Cl)[Cl-].CC(C)O.[Cu](Cl)[Cl-].CC(C)O |
Title of publication | Assembly of titanium-oxo cations with copper-halide anions to form supersalt-type cluster-based materials. |
Authors of publication | Fang, Wei-Hui; Zhang, Lei; Zhang, Jian |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2017 |
Journal volume | 53 |
Journal issue | 28 |
Pages of publication | 3949 |
a | 14.2993 ± 0.0006 Å |
b | 15.133 ± 0.0007 Å |
c | 15.1938 ± 0.0009 Å |
α | 117.3 ± 0.005° |
β | 95.635 ± 0.004° |
γ | 111.286 ± 0.004° |
Cell volume | 2579.4 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0682 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.136 |
Weighted residual factors for all reflections included in the refinement | 0.1561 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7119818.html
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