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Information card for entry 4066005
Preview
Coordinates | 4066005.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H98 Cu6 N4 O2 P4 Si4 |
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Calculated formula | C72 H98 Cu6 N4 O2 P4 Si4 |
SMILES | [Cu]1234[Cu]5678[Cu]9%10%11%12[Cu]%13%14%15[Cu]159([Cu]26%10%13(C8(P(=[N]3[Si](C)(C)C)(c1ccccc1)c1ccccc1)P(=[N]%11[Si](C)(C)C)(c1ccccc1)c1ccccc1)[CH3]%15)(C%12(P(=[N]%14[Si](C)(C)C)(c1ccccc1)c1ccccc1)P(=[N]7[Si](C)(C)C)(c1ccccc1)c1ccccc1)[CH3]4.O1CCCC1.O1CCCC1 |
Title of publication | Rare, Hexatomic, Boat-Shaped, Cross-Linked Bis(iminodiphenylphosphorano)methanediide Pincer Carbon Bridged Photoluminescent Copper Clusters Capped with Methyl or Halide Bridges |
Authors of publication | Ma, Guibin; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 19 |
Pages of publication | 4251 |
a | 22.81 ± 0.0015 Å |
b | 24.5879 ± 0.0016 Å |
c | 27.1406 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 15221.8 ± 1.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0279 |
Weighted residual factors for significantly intense reflections | 0.065 |
Weighted residual factors for all reflections included in the refinement | 0.0709 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/4066005.html
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