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Information card for entry 7029577
Preview
Coordinates | 7029577.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H14 F6 N2 O4 Pd |
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Calculated formula | C34 H14 F6 N2 O4 Pd |
SMILES | [Pd]1([n]2c3cccc2C#Cc2c(C#Cc4cccc(C#Cc5c(C#C3)cccc5)[n]14)cccc2)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F |
Title of publication | A rhomboid-shaped organic host molecule with small binding space. Unsymmetrical and symmetrical inclusion of halonium ions. |
Authors of publication | Suzaki, Yuji; Saito, Takashi; Ide, Tomohito; Osakada, Kohtaro |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 18 |
Pages of publication | 6643 - 6649 |
a | 7.376 ± 0.003 Å |
b | 9.605 ± 0.005 Å |
c | 10.808 ± 0.005 Å |
α | 73.922 ± 0.007° |
β | 89.198 ± 0.006° |
γ | 78.763 ± 0.006° |
Cell volume | 721 ± 0.6 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0408 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.1039 |
Weighted residual factors for all reflections included in the refinement | 0.1065 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.869 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7029577.html
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