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Information card for entry 2230105
Preview
Coordinates | 2230105.cif |
---|---|
Structure factors | 2230105.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(μ-hexadecanoato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')(hexadecanoato-κ<i>O</i>)copper(II)] methanol disolvate |
---|---|
Formula | C86 H148 Cu2 N4 O10 |
Calculated formula | C86 H148 Cu2 N4 O10 |
SMILES | C(=O)(CCCCCCCCCCCCCCC)O[Cu]12([n]3ccccc3c3[n]1cccc3)[O](C(=O)CCCCCCCCCCCCCCC)[Cu]1([n]3c(c4[n]1cccc4)cccc3)(OC(=O)CCCCCCCCCCCCCCC)[O]2C(=O)CCCCCCCCCCCCCCC.OC.OC |
Title of publication | Bis(μ-hexadecanoato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(hexadecanoato-κ<i>O</i>)copper(II)] methanol disolvate |
Authors of publication | Che Mat, Ahmad Nazeer; Abdullah, Norbani; Khaledi, Hamid; Tee, Jia Ti |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | m599 - m600 |
a | 9.6064 ± 0.0003 Å |
b | 9.7506 ± 0.0003 Å |
c | 24.0234 ± 0.0008 Å |
α | 92.559 ± 0.002° |
β | 98.681 ± 0.002° |
γ | 95.516 ± 0.002° |
Cell volume | 2210.14 ± 0.12 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 | 0.0842 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1103 |
Weighted residual factors for all reflections included in the refinement | 0.1267 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
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/2230105.html
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