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Information card for entry 2203292
Preview
Coordinates | 2203292.cif |
---|---|
Structure factors | 2203292.hkl |
Original IUCr paper | HTML |
Chemical name | (1S,2S)-[1,1'-Bis(4-methoxyphenyl)-3,3'-(1,2-cyclohexanediyldinitrilo)diprop- 1-enethiolato-κ^4^S,N,N',S']nickel(II) |
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Formula | C26 H28 N2 Ni O2 S2 |
Calculated formula | C26 H28 N2 Ni O2 S2 |
SMILES | [Ni]123[N](=CC=C(S1)c1ccc(cc1)OC)[C@H]1CCCC[C@@H]1[N]2=CC=C(S3)c1ccc(cc1)OC |
Title of publication | (1<i>S</i>,2<i>S</i>)-[1,1'-Bis(4-methoxyphenyl)-3,3'-(1,2-cyclohexanediyldinitrilo)diprop-1-enethiolato-κ^4^<i>S,N,N</i>',<i>S</i>']nickel(II) |
Authors of publication | Evain, Michel; Deniaud, David; Meslin, Jean Claude |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 3 |
Pages of publication | m325 - m327 |
a | 7.8637 ± 0.0004 Å |
b | 29.1592 ± 0.0009 Å |
c | 31.2637 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7168.7 ± 0.5 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0875 |
Residual factor for significantly intense reflections | 0.0682 |
Weighted residual factors for significantly intense reflections | 0.1644 |
Weighted residual factors for all reflections included in the refinement | 0.1689 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.24 |
Diffraction radiation wavelength | 0.71069 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/2203292.html
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Users of the data should acknowledge the original authors of the
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