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Information card for entry 7015507
Preview
Coordinates | 7015507.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H42 Cl2 N6 O4 Pt |
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Calculated formula | C36 H42 Cl2 N6 O4 Pt |
SMILES | C1(=[N]([Pt](Cl)([N]2[C@@H](c3ccc(cc3)OC)N(OC=2N(C)C)Cc2ccccc2)Cl)[C@H](c2ccc(cc2)OC)N(O1)Cc1ccccc1)N(C)C |
Title of publication | Unexpectedly efficient activation of push-pull nitriles by a Pt(II) center toward dipolar cycloaddition of Z-nitrones. |
Authors of publication | Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Haukka, Matti; Kukushkin, Vadim Yu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 16 |
Pages of publication | 4175 - 4182 |
a | 8.4287 ± 0.0007 Å |
b | 11.1631 ± 0.0008 Å |
c | 19.8266 ± 0.0014 Å |
α | 90° |
β | 97.669 ± 0.004° |
γ | 90° |
Cell volume | 1848.8 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0788 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1025 |
Weighted residual factors for all reflections included in the refinement | 0.114 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179859 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/55. |
7015507.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015507.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015507.cif |
21177 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015505, 7015506, 7015507, 7015508 via cif-deposit CGI script. |
7015507.cif |
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