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Information card for entry 1100743
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Coordinates | 1100743.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (PPh4)[Ni(madt)2](H2O) |
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Formula | C32 H24 N4 Ni O5 P S4 |
Calculated formula | C32 H28 N4 Ni O5 P S4 |
SMILES | [Ni]12(SC(=C(S1)C(=O)N)C(=O)N)SC(=C(S2)C(=O)N)C(=O)N.c1c([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cccc1.O |
Title of publication | A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups |
Authors of publication | Stéphane A. Baudron; Narcis Avarvari; Patrick Batail |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 3380 - 3382 |
a | 10.318 ± 0.0014 Å |
b | 13.0706 ± 0.0019 Å |
c | 15.399 ± 0.002 Å |
α | 114.341 ± 0.015° |
β | 94.651 ± 0.016° |
γ | 101.106 ± 0.017° |
Cell volume | 1826.6 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0803 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.1789 |
Weighted residual factors for all reflections included in the refinement | 0.1938 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1100743.html
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Users of the data should acknowledge the original authors of the
structural data.