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Information card for entry 7036938
Preview
Coordinates | 7036938.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H45 B F24 N3 Pd S |
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Calculated formula | C57 H45 B F24 N3 Pd S |
SMILES | [Pd]12([n]3n(Cc4[n]2c(C[S]1c1ccccc1)ccc4)c(cc3C(C)(C)C)C(C)(C)C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(C(F)(F)F)cc(c1)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
Title of publication | Conformation-selective coordination-driven self-assembly of a ditopic donor with Pd(II) acceptors. |
Authors of publication | Howlader, Prodip; Mukherjee, Sandip; Saha, Rajat; Mukherjee, Partha Sarathi |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 47 |
Pages of publication | 20493 - 20501 |
a | 12.9047 ± 0.001 Å |
b | 21.0538 ± 0.0015 Å |
c | 21.9172 ± 0.0016 Å |
α | 90° |
β | 92.845 ± 0.002° |
γ | 90° |
Cell volume | 5947.4 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.057 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.1059 |
Weighted residual factors for all reflections included in the refinement | 0.1161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/7036938.html
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Users of the data should acknowledge the original authors of the
structural data.