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Information card for entry 4089410
Preview
Coordinates | 4089410.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H54 Cu3 F36 K3 O12 |
---|---|
Calculated formula | C66 H54 Cu3 F36 K3 O12 |
SMILES | C1(c2ccccc2)(C(F)(F)[F][K]23[O]1[Cu][O](C(c1ccccc1)(C(F)(F)F)C(F)(F)F)[K]1([F]C(C(c4ccccc4)(C(F)(F)F)[O]1[Cu][O]2C(c1ccccc1)(C(F)(F)F)C(F)(F)F)(F)F)[O]([Cu][O]3C(c1ccccc1)(C(F)(F)F)C(F)(F)F)C(c1ccccc1)(C(F)(F)F)C(F)(F)F)C(F)(F)F.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6 |
Title of publication | Room Temperature Stable Organocuprate Copper(III) Complex |
Authors of publication | Hannigan, Steven F.; Lum, June S.; Bacon, Jeffrey W.; Moore, Curtis; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 12 |
Pages of publication | 3429 |
a | 25.3378 ± 0.0015 Å |
b | 15.1435 ± 0.0009 Å |
c | 23.1089 ± 0.0013 Å |
α | 90° |
β | 118.605 ± 0.001° |
γ | 90° |
Cell volume | 7784.7 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0311 |
Residual factor for significantly intense reflections | 0.0242 |
Weighted residual factors for significantly intense reflections | 0.0567 |
Weighted residual factors for all reflections included in the refinement | 0.0599 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/4089410.html
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Users of the data should acknowledge the original authors of the
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