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Information card for entry 2204811
Preview
Coordinates | 2204811.cif |
---|---|
Structure factors | 2204811.hkl |
Original IUCr paper | HTML |
Common name | (pabtp)Ni |
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Chemical name | {4,4'-Di-tert-butyl-6,6'-bis(dimethoxymethyl)-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]bis(thiophenolato)-κ^4^S,N,N',S'}nickel(II) |
Formula | C31 H44 N2 Ni O4 S2 |
Calculated formula | C31 H44 N2 Ni O4 S2 |
Title of publication | {4,4'-Di-<i>tert</i>-butyl-6,6'-bis(dimethoxymethyl)-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]bis(thiophenolato)-κ^4^<i>S,N,N</i>',<i>S</i>'}nickel(II) |
Authors of publication | Bjernemose, Jens K.; McKenzie, Christine J.; Raithby, Paul R.; Teat, Simon J. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 12 |
Pages of publication | m1841 - m1843 |
a | 28.352 ± 0.004 Å |
b | 9.1532 ± 0.0011 Å |
c | 12.1556 ± 0.0015 Å |
α | 90° |
β | 102.178 ± 0.002° |
γ | 90° |
Cell volume | 3083.5 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.098 |
Residual factor for significantly intense reflections | 0.084 |
Weighted residual factors for significantly intense reflections | 0.213 |
Weighted residual factors for all reflections included in the refinement | 0.228 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.6881 Å |
Diffraction radiation type | Synchrotron |
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/2204811.html
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Users of the data should acknowledge the original authors of the
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