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Information card for entry 4346684
Preview
| Coordinates | 4346684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C123 H176 Br12 Co6 O40 P12 |
|---|---|
| Calculated formula | C123 H176 Br12 Co6 O40 P12 |
| Title of publication | Beyond Single-Wavelength SHG Measurements: Spectrally-Resolved SHG Studies of Tetraphosphonate Ester Coordination Polymers. |
| Authors of publication | Zaręba, Jan K; Białek, Michał J; Janczak, Jan; Nyk, Marcin; Zoń, Jerzy; Samoć, Marek |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 22 |
| Pages of publication | 10568 - 10575 |
| a | 20.7866 ± 0.001 Å |
| b | 13.3229 ± 0.0006 Å |
| c | 30.693 ± 0.0015 Å |
| α | 90° |
| β | 100.646 ± 0.005° |
| γ | 90° |
| Cell volume | 8353.7 ± 0.7 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1886 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.0743 |
| Weighted residual factors for all reflections included in the refinement | 0.0803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231922 (current) | 2019-11-23 | cif/ Adding structures of 4346683, 4346684 via cif-deposit CGI script. |
4346684.cif |
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Users of the data should acknowledge the original authors of the
structural data.