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Information card for entry 4082424
Preview
Coordinates | 4082424.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H74 Co2 N2 O10 Pd3 |
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Calculated formula | C76 H74 Co2 N2 O10 Pd3 |
SMILES | C[c]12[cH]3[cH]4[cH]5[cH]1[Co]1672345[C]23=[C]1([C]7(=[C]63c1c([Pd]3([N]4=C2OC[C@@H]4C(C)C)[O]=C(O[Pd]2([O]=C(O[Pd]4([N]5=C([C]67=[C]8([C]9(=[C]6(c6ccccc6)[Co]6%10%11%12789[c]7([cH]6[cH]%10[cH]%11[cH]%127)C)c6ccccc6)c6c4cccc6)OC[C@@H]5C(C)C)[O]=C(O2)C)C)[O]=C(O3)C)C)cccc1)c1ccccc1)c1ccccc1 |
Title of publication | New Chiral Palladacycles from an Unprecedented Cyclopalladation of Cyclobutadiene-Bound Phenyl Groups of Cobalt Sandwich Compounds |
Authors of publication | Singh, Jatinder; Kumar, Dheeraj; Singh, Nem; Elias, Anil J. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 4 |
Pages of publication | 1044 |
a | 15.803 ± 0.004 Å |
b | 28.301 ± 0.007 Å |
c | 9.025 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4036.3 ± 1.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.0804 |
Residual factor for significantly intense reflections | 0.0659 |
Weighted residual factors for significantly intense reflections | 0.1936 |
Weighted residual factors for all reflections included in the refinement | 0.2021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
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/4082424.html
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Users of the data should acknowledge the original authors of the
structural data.