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Information card for entry 2243927
Preview
| Coordinates | 2243927.cif |
|---|---|
| Structure factors | 2243927.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (Acetato-κ<i>O</i>)[2-hydroxy-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)ethanamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>](methanol-κ<i>O</i>)manganese(II) tetraphenylborate methanol monosolvate |
|---|---|
| Formula | C50 H52 B Mn N3 O5 |
| Calculated formula | C50 H52 B Mn N3 O5 |
| Title of publication | Geometrical variations of two manganese(II) complexes with closely related quinoline-based tripodal ligands |
| Authors of publication | Frey, Steven T.; Ballot, Jasper G.; Hands, Allison; Cirka, Haley A.; Rinaolo, Katheryn C.; Phalkun, Nich N.; Kaur, Manpreet; Jasinski, Jerry P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 10 |
| Pages of publication | 982 - 988 |
| a | 10.3504 ± 0.0003 Å |
| b | 17.4824 ± 0.0005 Å |
| c | 23.9618 ± 0.0009 Å |
| α | 90° |
| β | 96.222 ± 0.003° |
| γ | 90° |
| Cell volume | 4310.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0832 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1278 |
| Weighted residual factors for all reflections included in the refinement | 0.1485 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271923 (current) | 2022-01-07 | cif/ Updating files of 2243926, 2243927 Original log message: Adding full bibliography for 2243926--2243927.cif. |
2243927.cif 2243927.hkl |
| 269361 | 2021-09-29 | cif/ hkl/ Adding structures of 2243926, 2243927 via cif-deposit CGI script. |
2243927.cif 2243927.hkl |
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Users of the data should acknowledge the original authors of the
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