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Information card for entry 1506371
Preview
Coordinates | 1506371.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H64 N4 O4 P2 Pt |
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Calculated formula | C44 H64 N4 O4 P2 Pt |
SMILES | [Pt]([P](CCCC)(CCCC)CCCC)([P](CCCC)(CCCC)CCCC)(C#Cc1ccccc1N1=NOC(=O)C=1)C#Cc1ccccc1N1=NOC(=O)C=1 |
Title of publication | Structure-optical property relationships in organometallic sydnones. |
Authors of publication | Cooper, Thomas M.; Hall, Benjamin C.; McLean, Daniel G.; Rogers, Joy E.; Burke, Aaron R.; Turnbull, Kenneth; Weisner, Andrew; Fratini, Albert; Liu, Yao; Schanze, Kirk S. |
Journal of publication | The journal of physical chemistry. A |
Year of publication | 2005 |
Journal volume | 109 |
Journal issue | 6 |
Pages of publication | 999 - 1007 |
a | 10.9367 ± 0.0003 Å |
b | 11.2973 ± 0.0003 Å |
c | 11.4492 ± 0.0003 Å |
α | 110.738 ± 0.001° |
β | 109.796 ± 0.001° |
γ | 104.578 ± 0.001° |
Cell volume | 1128.32 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0244 |
Residual factor for significantly intense reflections | 0.0244 |
Weighted residual factors for significantly intense reflections | 0.0592 |
Weighted residual factors for all reflections included in the refinement | 0.0593 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/1506371.html
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Users of the data should acknowledge the original authors of the
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