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Information card for entry 7058334
Preview
Coordinates | 7058334.cif |
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Original paper (by DOI) | HTML |
Common name | ZW50 Pd-DHDP |
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Formula | C30 H36 Br2 N4 O4 Pd |
Calculated formula | C30 H36 Br2 N4 O4 Pd |
Title of publication | Annulated bacteriochlorins for near-infrared photophysical studies |
Authors of publication | Fujita, Hikaru; Jing, Haoyu; Krayer, Michael; Allu, Srinivasarao; Veeraraghavaiah, Gorre; Wu, Zhiyuan; Jiang, Jianbing; Diers, James R.; Magdaong, Nikki Cecil M.; Mandal, Amit K.; Roy, Arpita; Niedzwiedzki, Dariusz M.; Kirmaier, Christine; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2019 |
Journal volume | 43 |
Journal issue | 19 |
Pages of publication | 7209 |
a | 13.0158 ± 0.0003 Å |
b | 8.1799 ± 0.0002 Å |
c | 14.3232 ± 0.0003 Å |
α | 90° |
β | 94.106 ± 0.0009° |
γ | 90° |
Cell volume | 1521.05 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0211 |
Residual factor for significantly intense reflections | 0.0174 |
Weighted residual factors for significantly intense reflections | 0.0421 |
Weighted residual factors for all reflections included in the refinement | 0.0431 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
224837 (current) | 2019-11-08 | cif/ Updating files of 7058332, 7058333, 7058334 Original log message: Adding full bibliography for 7058332--7058334.cif. |
7058334.cif |
214761 | 2019-04-25 | cif/ Adding structures of 7058332, 7058333, 7058334 via cif-deposit CGI script. |
7058334.cif |
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Users of the data should acknowledge the original authors of the
structural data.