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Information card for entry 4323455
Preview
Coordinates | 4323455.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H63 Cl Cu O9 Ti2 |
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Calculated formula | C27 H63 Cl Cu O9 Ti2 |
SMILES | [Cu]123(Cl)[O]4([Ti]5([O]1([Ti]4([O]5C(C)C)([O]3C(C)C)(OC(C)C)OC(C)C)C(C)C)([O]2C(C)C)(OC(C)C)OC(C)C)C(C)C |
Title of publication | Synthesis and Characterization of New Alkoxotitanates of Yttrium, Barium, and Copper: Single Crystal X-ray Diffraction Structures of Cl2Y{Ti2(OPri)9}, {Ti(OPri)5}Ba{Ti2(OPri)9}, and ClCu{Ti2(OPri)9} |
Authors of publication | Michael Veith; Sanjay Mathur; Volker Huch |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 2391 - 2399 |
a | 10.085 ± 0.002 Å |
b | 10.21 ± 0.002 Å |
c | 21.551 ± 0.004 Å |
α | 84.4 ± 0.03° |
β | 84.03 ± 0.03° |
γ | 60.86 ± 0.03° |
Cell volume | 1924.9 ± 0.9 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 | 0.0521 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for all reflections | 0.1328 |
Weighted residual factors for significantly intense reflections | 0.1291 |
Goodness-of-fit parameter for all reflections | 1.048 |
Goodness-of-fit parameter for significantly intense reflections | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4323455.html
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