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Information card for entry 7015566
Preview
Coordinates | 7015566.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H56 Cl3 Co3 |
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Calculated formula | C76 H56 Cl3 Co3 |
SMILES | [Co]1234567([cH]8[cH]4[cH]3[cH]2[cH]18)[C]1(=[C]5([C]6(=[C]71c1ccccc1)[C]12=[C]3([Co]456781([cH]1[cH]7[cH]6[cH]5[cH]41)[C]3(=[C]28c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[C]12[Co]345678([cH]9[cH]3[cH]4[cH]5[cH]69)[C]1(=[C]7([C]=28c1ccccc1)c1ccccc1)c1ccccc1.ClC(Cl)Cl |
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 | 11.236 ± 0.004 Å |
b | 13.546 ± 0.004 Å |
c | 20.574 ± 0.006 Å |
α | 85.371 ± 0.006° |
β | 74.27 ± 0.006° |
γ | 79.674 ± 0.006° |
Cell volume | 2963.6 ± 1.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1014 |
Residual factor for significantly intense reflections | 0.0752 |
Weighted residual factors for significantly intense reflections | 0.1697 |
Weighted residual factors for all reflections included in the refinement | 0.182 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
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/7015566.html
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.