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Information card for entry 7051290
Preview
Coordinates | 7051290.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H48 Ho N13 O15 |
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Calculated formula | C21 H42 Ho N13 O15 |
SMILES | [Ho]12345678OC(=O)C[N]5(CC(=O)O1)CC[N]6(CC(=O)O2)CC[N]7(CC(=O)O3)CC[N]8(CC(=O)O4)CC(=O)[O-].O.O.O.NC(=[NH2+])N.NC(=[NH2+])N.NC(=[NH2+])N |
Title of publication | Structure and optical spectroscopy of holmium(III) triethylenetetraaminehexaacetate in single crystal and in solution |
Authors of publication | Mondry, Anna; Starynowicz, Przemysław |
Journal of publication | New Journal of Chemistry |
Year of publication | 2000 |
Journal volume | 24 |
Journal issue | 8 |
Pages of publication | 603 |
a | 9.535 ± 0.002 Å |
b | 12.52 ± 0.003 Å |
c | 17.012 ± 0.003 Å |
α | 71.89 ± 0.03° |
β | 81.55 ± 0.03° |
γ | 68.9 ± 0.03° |
Cell volume | 1799.4 ± 0.8 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 | 0.0388 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.1021 |
Weighted residual factors for all reflections included in the refinement | 0.1022 |
Goodness-of-fit parameter for all reflections included in the refinement | 5.609 |
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/7051290.html
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