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Information card for entry 2017164
Preview
Coordinates | 2017164.cif |
---|---|
Structure factors | 2017164.hkl |
Original IUCr paper | HTML |
Chemical name | Di-μ-chlorido-bis[chlorido(4'-<i>p</i>-tolyl-2,2':6',2''-terpyridine-\ κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II)] |
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Formula | C44 H34 Cl4 N6 Ni2 |
Calculated formula | C44 H34 Cl4 N6 Ni2 |
SMILES | c1cccc2c3cc(cc4[n]3[Ni]3([Cl][Ni]56([n]7ccccc7c7cc(cc([n]57)c5[n]6cccc5)c5ccc(cc5)C)([Cl]3)Cl)(Cl)([n]12)[n]1c4cccc1)c1ccc(cc1)C |
Title of publication | Di-μ-chlorido-bis[chlorido(4'-<i>p</i>-tolyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II)]: a supramolecular system constructed by C—H···Cl interactions |
Authors of publication | Chen, Ying-Lin; Li, Ben-Zhen; Yang, Ping; Wu, Jian-Zhong |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 7 |
Pages of publication | m238 - m240 |
a | 14.2218 ± 0.0011 Å |
b | 12.7866 ± 0.001 Å |
c | 10.8659 ± 0.0008 Å |
α | 90° |
β | 102.219 ± 0.001° |
γ | 90° |
Cell volume | 1931.2 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.065 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0711 |
Weighted residual factors for all reflections included in the refinement | 0.0792 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.862 |
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/2017164.html
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