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Information card for entry 1567459
Preview
Coordinates | 1567459.cif |
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Original paper (by DOI) | HTML |
Formula | C3.35 H4.54 I0.11 N0.22 O0.16 |
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Calculated formula | C3.35135 H4.54054 I0.108108 N0.216216 O0.432432 |
Title of publication | Room Temperature Charge-Transfer Phosphorescence from Organic Donor-Acceptor Co-Crystals |
Authors of publication | Garain, Swadhin; Ansari, Shagufi Shagufi Naz; Kongasseri, Anju; GARAIN, BIDHAN CHANDRA; Pati, Swapan K.; George, Subi J. |
Journal of publication | Chemical Science |
Year of publication | 2022 |
a | 5.4537 ± 0.0005 Å |
b | 38.527 ± 0.004 Å |
c | 15.1042 ± 0.0015 Å |
α | 90° |
β | 93.702 ± 0.004° |
γ | 90° |
Cell volume | 3167 ± 0.5 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 5 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.147 |
Residual factor for significantly intense reflections | 0.1088 |
Weighted residual factors for significantly intense reflections | 0.2553 |
Weighted residual factors for all reflections included in the refinement | 0.2799 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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277194 (current) | 2022-08-11 | cif/ Adding structures of 1567459, 1567460 via cif-deposit CGI script. |
1567459.cif |
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Users of the data should acknowledge the original authors of the
structural data.