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Information card for entry 4107317
Preview
Coordinates | 4107317.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H39 Au Cl N2 P S |
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Calculated formula | C45 H39 Au Cl N2 P S |
SMILES | [Au](Cl)[P]1(C2=C3CCCC3=C1C(c1nc(=C(c3sc(C(=c4nc(C2(C)C)cc4)c2ccccc2)cc3)c2ccccc2)cc1)(C)C)c1ccccc1 |
Title of publication | Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes |
Authors of publication | Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 990 - 1002 |
a | 14.7171 ± 0.0016 Å |
b | 12.7237 ± 0.0013 Å |
c | 20.121 ± 0.002 Å |
α | 90° |
β | 96.749 ± 0.002° |
γ | 90° |
Cell volume | 3741.7 ± 0.7 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.0368 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0622 |
Weighted residual factors for all reflections included in the refinement | 0.0646 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.7107 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/4107317.html
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