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Information card for entry 7042731
Preview
| Coordinates | 7042731.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H23 Ca N O9 |
|---|---|
| Calculated formula | C13 H23 Ca N O9 |
| Title of publication | Bio-inspired synthetic approaches: From hierarchical, hybrid supramolecular assemblies to CaCO3-based microspheres |
| Authors of publication | Schmitt, Wolfgang; Marzec, Bartosz; Zhang, Lei; Zhu, Nian Yong |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 6.2649 ± 0.001 Å |
| b | 8.2062 ± 0.001 Å |
| c | 33.649 ± 0.006 Å |
| α | 96.66 ± 0.02° |
| β | 94.77 ± 0.02° |
| γ | 92.07 ± 0.02° |
| Cell volume | 1710.5 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0677 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.1316 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195642 (current) | 2017-04-21 | cif/ Adding structures of 7042731 via cif-deposit CGI script. |
7042731.cif |
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Users of the data should acknowledge the original authors of the
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