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Information card for entry 4002129
Preview
| Coordinates | 4002129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 Mn5 O18 |
|---|---|
| Calculated formula | C16 H16 Mn5 O18 |
| Title of publication | Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems |
| Authors of publication | Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 1 |
| Pages of publication | 133 |
| a | 9.6012 ± 0.0003 Å |
| b | 9.6449 ± 0.0003 Å |
| c | 12.563 ± 0.0004 Å |
| α | 90° |
| β | 97.04 ± 0.001° |
| γ | 90° |
| Cell volume | 1154.6 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.034 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4002129.cif |
| 130483 | 2015-02-04 | cif/ Updating files of 4002129, 4002130, 4002131, 4002132, 4002133, 4002134, 4002135, 4002136, 4002137, 4002138, 4002139, 4002140, 4002141, 4002142, 4002143 Original log message: Adding full bibliography for 4002129--4002143.cif. |
4002129.cif |
| 129142 | 2014-12-30 | cif/ Adding structures of 4002129, 4002130, 4002131, 4002132, 4002133, 4002134, 4002135, 4002136, 4002137, 4002138, 4002139, 4002140, 4002141, 4002142, 4002143 via cif-deposit CGI script. |
4002129.cif |
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Users of the data should acknowledge the original authors of the
structural data.