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Information card for entry 4512732
Preview
| Coordinates | 4512732.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H19 Mn N6 O3 S2 |
|---|---|
| Calculated formula | C17 H19 Mn N6 O3 S2 |
| Title of publication | Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits |
| Authors of publication | Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 1336 |
| a | 7.4226 ± 0.0014 Å |
| b | 10.1016 ± 0.0019 Å |
| c | 14.561 ± 0.003 Å |
| α | 100.639 ± 0.009° |
| β | 95.29 ± 0.009° |
| γ | 92.487 ± 0.01° |
| Cell volume | 1066.4 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179675 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/27. |
4512732.cif |
| 134761 | 2015-04-04 | cif/ Updating files of 4512729, 4512730, 4512731, 4512732, 4512733, 4512734 Original log message: Adding full bibliography for 4512729--4512734.cif. |
4512732.cif |
| 131995 | 2015-02-19 | cif/ Adding structures of 4512729, 4512730, 4512731, 4512732, 4512733, 4512734 via cif-deposit CGI script. |
4512732.cif |
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Users of the data should acknowledge the original authors of the
structural data.