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Information card for entry 4312329
Preview
Coordinates | 4312329.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H28 N4 O20 Ti2 |
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Calculated formula | C12 H28 N4 O20 Ti2 |
SMILES | C1(=O)O[Ti]2345(OO5)OC(=O)CC5(C(=O)O4)CC(=O)O[Ti]467(OC(=O)CC(C(=O)O6)(C1)[O]24)([O]35)OO7.[NH4+].[NH4+].O.[NH4+].[NH4+].O |
Title of publication | Chromium(II) and Chromium(III) Complexes Supported by Tris(2-pyridylmethyl)amine: Synthesis, Structures, and Reactivity |
Authors of publication | Nicholas J. Robertson; Michael J. Carney; Jason A. Halfen |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 6876 - 6885 |
a | 10.36 ± 0.004 Å |
b | 10.226 ± 0.004 Å |
c | 11.478 ± 0.006 Å |
α | 90° |
β | 107.99 ± 0.02° |
γ | 90° |
Cell volume | 1156.5 ± 0.9 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0318 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for all reflections | 0.0806 |
Weighted residual factors for significantly intense reflections | 0.0785 |
Goodness-of-fit parameter for all reflections | 1.127 |
Goodness-of-fit parameter for significantly intense reflections | 1.148 |
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/4312329.html
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