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Information card for entry 7036939
Preview
Coordinates | 7036939.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59 H54 B F24 N3 O2 Pd S |
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Calculated formula | C59 H54 B F24 N3 O2 Pd S |
SMILES | [Pd]12([S](c3ccccc3)Cc3[n]1c(ccc3)Cn1[n]2c(cc1C)C)C.FC(F)(F)c1cc(cc(c1)[B-](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F.O(CC)CC.O(CC)CC |
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 | 41.545 ± 0.01 Å |
b | 12.996 ± 0.003 Å |
c | 24.09 ± 0.005 Å |
α | 90° |
β | 104.638 ± 0.005° |
γ | 90° |
Cell volume | 12584 ± 5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0772 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1352 |
Weighted residual factors for all reflections included in the refinement | 0.15 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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