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Information card for entry 7020113
Preview
| Coordinates | 7020113.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis-(Triphenylphosphine)dinitro-platinum(II) |
|---|---|
| Formula | C38 H34 Cl4 N2 O4 P2 Pt |
| Calculated formula | C38 H34 Cl4 N2 O4 P2 Pt |
| SMILES | O=N(=O)[Pt](N(=O)=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes - a photocrystallographic investigation. |
| Authors of publication | Warren, Mark R.; Brayshaw, Simon K.; Hatcher, Lauren E.; Johnson, Andrew L.; Schiffers, Stefanie; Warren, Anna J.; Teat, Simon J.; Warren, John E.; Woodall, Christopher H.; Raithby, Paul R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 42 |
| Pages of publication | 13173 - 13179 |
| a | 20.471 ± 0.005 Å |
| b | 7.953 ± 0.005 Å |
| c | 23.261 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3787 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0728 |
| Residual factor for significantly intense reflections | 0.0185 |
| Weighted residual factors for significantly intense reflections | 0.0298 |
| Weighted residual factors for all reflections included in the refinement | 0.0338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.765 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179905 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/01. |
7020113.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020113.cif |
| 71500 | 2013-01-20 | cif/ Adding structures of 7020107, 7020108, 7020109, 7020110, 7020111, 7020112, 7020113 via cif-deposit CGI script. |
7020113.cif |
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Users of the data should acknowledge the original authors of the
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