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Information card for entry 4318839
Preview
Coordinates | 4318839.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (PPh2OCH2)2-nBu4Clx, 8 |
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Formula | C70 H66 O6 P2 |
Calculated formula | C70 H78 O6 P2 |
Title of publication | Synthesis and Characterization of Diametrically Substituted Tetra-O-n-butylcalix[4]arene Ligands and Their Chelated Complexes of Titanium, Molybdenum, and Palladium |
Authors of publication | Daniel R. Evans; Mingsheng Huang; James C. Fettinger; Tracie L. Williams |
Journal of publication | Inorganic Chemistry |
Year of publication | 2002 |
Journal volume | 41 |
Pages of publication | 5986 - 6000 |
a | 32.0763 ± 0.0018 Å |
b | 10.1018 ± 0.0006 Å |
c | 21.7916 ± 0.0012 Å |
α | 90° |
β | 123.063 ± 0.001° |
γ | 90° |
Cell volume | 5917.7 ± 0.6 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0802 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.1179 |
Weighted residual factors for all reflections included in the refinement | 0.1307 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.743 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4318839.html
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