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Information card for entry 4346683
Preview
| Coordinates | 4346683.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C123 H168 Cl12 Co6 O40 P12 |
|---|---|
| Calculated formula | C123 H168 Cl12 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 | 20.79 ± 0.003 Å |
| b | 13.234 ± 0.002 Å |
| c | 30.305 ± 0.003 Å |
| α | 90° |
| β | 100.99 ± 0.01° |
| γ | 90° |
| Cell volume | 8185 ± 1.9 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 | 0.2003 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.126 |
| Weighted residual factors for all reflections included in the refinement | 0.177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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. |
4346683.cif |
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Users of the data should acknowledge the original authors of the
structural data.