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Information card for entry 2228501
Preview
Coordinates | 2228501.cif |
---|---|
Structure factors | 2228501.hkl |
Original IUCr paper | HTML |
Chemical name | Bis{6-methoxy-2-[(4-methylphenyl)iminiomethyl]phenolate- κ^2^<i>O</i>,<i>O</i>'}tris(nitrato-κ^2^<i>O</i>,<i>O</i>')holmium(III) monohydrate |
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Formula | C30 H32 Ho N5 O14 |
Calculated formula | C30 H32 Ho N5 O14 |
SMILES | [Ho]12345([O](c6cccc(=CNc7ccc(C)cc7)c6=[O]1)C)([O]=c1c(=CNc6ccc(C)cc6)cccc1[O]2C)(ON(=O)=[O]3)(ON(=O)=[O]5)[O]=N(=O)O4.O |
Title of publication | Bis{6-methoxy-2-[(4-methylphenyl)iminiomethyl]phenolate-κ^2^<i>O</i>,<i>O</i>'}tris(nitrato-κ^2^<i>O</i>,<i>O</i>')holmium(III) monohydrate |
Authors of publication | Shen, Jin-Bei; Zhao, Guo-Liang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 12 |
Pages of publication | m1603 - m1604 |
a | 9.7646 ± 0.0004 Å |
b | 9.9813 ± 0.0004 Å |
c | 18.4281 ± 0.0011 Å |
α | 97.862 ± 0.003° |
β | 101.688 ± 0.003° |
γ | 106.27 ± 0.002° |
Cell volume | 1652.21 ± 0.14 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0233 |
Residual factor for significantly intense reflections | 0.0211 |
Weighted residual factors for significantly intense reflections | 0.0572 |
Weighted residual factors for all reflections included in the refinement | 0.0585 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/2228501.html
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Users of the data should acknowledge the original authors of the
structural data.