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Information card for entry 1514396
Preview
Coordinates | 1514396.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H90 N2 Pt |
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Calculated formula | C84 H90 N2 Pt |
SMILES | [Pt]1([N](=C2C(=[N]1c1cc(cc(c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1cccc3cccc2c13)c1cc(cc(c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1 |
Title of publication | Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways |
Authors of publication | Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood |
Journal of publication | Chemical Science |
Year of publication | 2013 |
Journal volume | 4 |
Journal issue | 2 |
Pages of publication | 770 |
a | 19.1854 ± 0.0003 Å |
b | 19.6691 ± 0.0004 Å |
c | 24.6274 ± 0.0004 Å |
α | 90° |
β | 108.482 ± 0.0009° |
γ | 90° |
Cell volume | 8814.1 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.085 |
Residual factor for significantly intense reflections | 0.0616 |
Weighted residual factors for significantly intense reflections | 0.1495 |
Weighted residual factors for all reflections included in the refinement | 0.1603 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1514396.cif |
110118 | 2014-04-18 | cif/ Adding structures of 1514396, 1514397 via cif-deposit CGI script. |
1514396.cif |
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Users of the data should acknowledge the original authors of the
structural data.