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Information card for entry 7015562
Preview
Coordinates | 7015562.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H60 Co2 N2 O4 Pd |
---|---|
Calculated formula | C68 H60 Co2 N2 O4 Pd |
SMILES | [Pd]12([N]3=C([c]45[Co]6789%10%11([c]24[cH]6[cH]7[cH]58)[C]2(=[C]9([C]%10(=[C]%112c2ccccc2)c2ccccc2)c2ccccc2)[C]24[Co]56789%10([c]%11(C%12OC[C@@H]([N]1=%12)C(C)C)[cH]5[cH]6[cH]7[cH]8%11)[C]2(=[C]9([C]=4%10c1ccccc1)c1ccccc1)c1ccccc1)OC[C@@H]3C(C)C)OC(=O)C |
Title of publication | Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2. |
Authors of publication | Singh, Nem; Elias, Anil J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 18 |
Pages of publication | 4882 - 4891 |
a | 14.1031 ± 0.0008 Å |
b | 12.7228 ± 0.0007 Å |
c | 16.6008 ± 0.001 Å |
α | 90° |
β | 109.272 ± 0.001° |
γ | 90° |
Cell volume | 2811.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0405 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.0823 |
Weighted residual factors for all reflections included in the refinement | 0.0833 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7015562.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015562.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015562.cif |
21191 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015560, 7015561, 7015562, 7015563, 7015564, 7015565, 7015566 via cif-deposit CGI script. |
7015562.cif |
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