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Information card for entry 7040057
Preview
Coordinates | 7040057.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H90 Ag2 Cl10 F18 N6 O7 P4 S2 |
---|---|
Calculated formula | C78 H89 Ag2 Cl10 F18 N6 O7 P4 S2 |
SMILES | c1cccc2[C@H](C)[N+]3=CN([C@@]4(CC[C@H]3C4(C)C)C)Cc3c(cccc3)[P](c3ccccc3)(c3ccccc3)[Ag]([n]3ccccc3[C@H](C)[N+]3=CN([C@@]4(CC[C@H]3C4(C)C)C)Cc3c(cccc3)[P](c3ccccc3)(c3ccccc3)[Ag]([n]12)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.CO.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand. |
Authors of publication | Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 34 |
Pages of publication | 13347 - 13360 |
a | 19.7186 ± 0.0006 Å |
b | 10.8796 ± 0.0002 Å |
c | 23.3108 ± 0.0006 Å |
α | 90° |
β | 93.68 ± 0.002° |
γ | 90° |
Cell volume | 4990.6 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 9 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0941 |
Residual factor for significantly intense reflections | 0.087 |
Weighted residual factors for significantly intense reflections | 0.2411 |
Weighted residual factors for all reflections included in the refinement | 0.2493 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7040057.html
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