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Information card for entry 7021724
Preview
Coordinates | 7021724.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Di-μ-chlorobis(μ-(3-diphenylphosphanecarbonylphenyl) diphenylphosphanylmethanone)dicopper(I) |
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Formula | C72 H60 Cl2 Cu2 N4 O4 P4 |
Calculated formula | C72 H60 Cl2 Cu2 N4 O4 P4 |
SMILES | [Cu]123[Cl][Cu]([Cl]1)([P](C(=O)c1cccc(C(=O)[P]2(c2ccccc2)c2ccccc2)c1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)C(=O)c1cccc(c1)C(=O)[P]3(c1ccccc1)c1ccccc1.N#CC.N#CC.N#CC.N#CC |
Title of publication | New bisphosphomide ligands, 1,3-phenylenebis((diphenylphosphino)methanone) and (2-bromo-1,3-phenylene)bis((diphenylphosphino)methanone): synthesis, coordination behavior, DFT calculations and catalytic studies. |
Authors of publication | Kumar, Pawan; Siddiqui, Mujahuddin M.; Reddi, Yerrnaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 32 |
Pages of publication | 11385 - 11399 |
a | 14.1567 ± 0.0018 Å |
b | 14.4395 ± 0.0018 Å |
c | 17.487 ± 0.002 Å |
α | 91.137 ± 0.002° |
β | 91.028 ± 0.002° |
γ | 112.604 ± 0.002° |
Cell volume | 3298.1 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0614 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1141 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7021724.html
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