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Information card for entry 7229373
Preview
Coordinates | 7229373.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H12 Cu3 N12 O13 |
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Calculated formula | C14 H4 Cu3 N12 O12.5 |
Title of publication | New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties |
Authors of publication | Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 10.243 ± 0.013 Å |
b | 10.444 ± 0.013 Å |
c | 11.595 ± 0.014 Å |
α | 113.73 ± 0.04° |
β | 102.22 ± 0.04° |
γ | 104.23 ± 0.04° |
Cell volume | 1031 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1544 |
Residual factor for significantly intense reflections | 0.0738 |
Weighted residual factors for significantly intense reflections | 0.2425 |
Weighted residual factors for all reflections included in the refinement | 0.2938 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
202259 (current) | 2017-10-24 | cif/ Adding structures of 7229372, 7229373, 7229374, 7229375, 7229376, 7229377, 7229378, 7229379, 7229380 via cif-deposit CGI script. |
7229373.cif |
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Users of the data should acknowledge the original authors of the
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