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Information card for entry 7225514
Preview
Coordinates | 7225514.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C63 H58 Cl2 Fe2 N4 O2 |
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Calculated formula | C63 H56 Cl2 Fe2 N4 O2 |
Title of publication | Palladium-catalyzed direct C-H arylation of ferrocenecarboxamides with aryl halides |
Authors of publication | Qiao, Huijie; Sun, Suyan; Yang, Fan; Zhu, Yu; Zhu, Weiguo; Wu, Yusheng; Wu, Yangjie |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 14.7314 ± 0.0002 Å |
b | 10.30632 ± 0.00019 Å |
c | 17.8542 ± 0.0004 Å |
α | 90° |
β | 95.605 ± 0.0017° |
γ | 90° |
Cell volume | 2697.78 ± 0.09 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291.15 K |
Number of distinct elements | 6 |
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 | 0.0625 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1388 |
Weighted residual factors for all reflections included in the refinement | 0.1497 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
183451 (current) | 2016-06-14 | cif/ Adding structures of 7225513, 7225514 via cif-deposit CGI script. |
7225514.cif |
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Users of the data should acknowledge the original authors of the
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