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Information card for entry 4077941
Preview
Coordinates | 4077941.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H79 N6 O14 P Pt3 S3 |
---|---|
Calculated formula | C54 H79 N6 O14 P Pt3 S3 |
SMILES | [Pt]12([P](c3cc(S(=O)(=O)[O-])ccc3)(c3cc(S(=O)(=O)[O-])ccc3)c3cc(S(=O)(=O)[O-])ccc3)[N](Cc3c2c(ccc3)C[N]1(C)C)(C)C.[Pt]12([OH2])[N](Cc3c2c(ccc3)C[N]1(C)C)(C)C.[Pt]12([OH2])[N](Cc3c2c(ccc3)C[N]1(C)C)(C)C.O.O.O |
Title of publication | Coordination Chemistry in Water of a Free and a Lipase-Embedded Cationic NCN-Pincer Platinum Center with Neutral and Ionic Triarylphosphines |
Authors of publication | Wieczorek, Birgit; Snelders, Dennis J. M.; Dijkstra, Harm P.; Versluis, Kees; Lutz, Martin; Spek, Anthony L.; Egmond, Maarten R.; Klein Gebbink, Robertus J. M.; van Koten, Gerard |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 7 |
Pages of publication | 2810 |
a | 11.1503 ± 0.0001 Å |
b | 12.3898 ± 0.0001 Å |
c | 23.9191 ± 0.0003 Å |
α | 92.8724 ± 0.0004° |
β | 90.6454 ± 0.0004° |
γ | 113.024 ± 0.0006° |
Cell volume | 3035.65 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0548 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for significantly intense reflections | 0.064 |
Weighted residual factors for all reflections included in the refinement | 0.0701 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4077941.html
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