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Information card for entry 2221342
Preview
Coordinates | 2221342.cif |
---|---|
Structure factors | 2221342.hkl |
Original IUCr paper | HTML |
Chemical name | {μ-6,6'-Dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}trinitratocopper(II)lutetium(III) acetone solvate |
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Formula | C22 H26 Cu Lu N5 O14 |
Calculated formula | C22 H26 Cu Lu N5 O14 |
SMILES | [Lu]123456([O](C)c7c8[O]1[Cu]19[O]2c2c([O]3C)cccc2C=[N]9CCC[N]1=Cc8ccc7)([O]=N(=O)O4)([O]=N(=O)O5)[O]=N(O6)=O.O=C(C)C |
Title of publication | {μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}trinitratocopper(II)lutetium(III) acetone solvate |
Authors of publication | Xing, Jing-Chun; Xu, Yong-Mei; Cui, Xiao-Guang; Li, Wen-Zhi |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 4 |
Pages of publication | m443 |
a | 9.407 ± 0.0019 Å |
b | 12.135 ± 0.002 Å |
c | 13.51 ± 0.003 Å |
α | 73.03 ± 0.03° |
β | 87.04 ± 0.03° |
γ | 72.32 ± 0.03° |
Cell volume | 1404.2 ± 0.6 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.0587 |
Residual factor for significantly intense reflections | 0.0563 |
Weighted residual factors for significantly intense reflections | 0.146 |
Weighted residual factors for all reflections included in the refinement | 0.1493 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/2221342.html
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Users of the data should acknowledge the original authors of the
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