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Information card for entry 4089559
Preview
Coordinates | 4089559.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H69 B2 Cl2 F8 Fe P3 Pd |
---|---|
Calculated formula | C53 H69 B2 Cl2 F8 Fe P3 Pd |
SMILES | [Fe]123456789%10[Pd]([P]([c]%111[cH]5[cH]4[cH]3[cH]2%11)(C1CCCCC1)C1CCCCC1)([P]([c]16[cH]%10[cH]9[cH]8[cH]71)(C1CCCCC1)C1CCCCC1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions |
Authors of publication | Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5966 |
a | 12.7854 ± 0.0008 Å |
b | 12.8171 ± 0.0008 Å |
c | 17.1444 ± 0.0013 Å |
α | 84.688 ± 0.002° |
β | 83.017 ± 0.003° |
γ | 73.353 ± 0.002° |
Cell volume | 2666.8 ± 0.3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1554 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.0915 |
Weighted residual factors for all reflections included in the refinement | 0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/4089559.html
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Users of the data should acknowledge the original authors of the
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