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Information card for entry 2206953
Preview
Coordinates | 2206953.cif |
---|---|
Structure factors | 2206953.hkl |
Original IUCr paper | HTML |
Chemical name | Diaquatris(nicotinato-kO)bis(1,10-phenanthroline-k^2^N,N')lanthanum(III) trihydrate |
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Formula | C42 H38 La N7 O11 |
Calculated formula | C42 H38 La N7 O11 |
SMILES | [La]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)(OC(=O)c1cccnc1)(OC(=O)c1cnccc1)(OC(=O)c1cnccc1)([OH2])[OH2].O.O.O |
Title of publication | Diaquatris(nicotinato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lanthanum(III) trihydrate |
Authors of publication | Ping Wang; Yong Xiao; Zhi-Feng Li |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 10 |
Pages of publication | m1902 - m1903 |
a | 9.0676 ± 0.0001 Å |
b | 12.9618 ± 0.0002 Å |
c | 17.9351 ± 0.0003 Å |
α | 84.998 ± 0.001° |
β | 80.8 ± 0.001° |
γ | 84.19 ± 0.001° |
Cell volume | 2064.73 ± 0.05 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 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 | 0.0237 |
Residual factor for significantly intense reflections | 0.0204 |
Weighted residual factors for significantly intense reflections | 0.0532 |
Weighted residual factors for all reflections included in the refinement | 0.0542 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2206953.html
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Users of the data should acknowledge the original authors of the
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