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Information card for entry 2232095
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| Coordinates | 2232095.cif |
|---|---|
| Structure factors | 2232095.hkl |
| Original IUCr paper | HTML |
| Common name | (<i>N</i>,<i>N</i>'-<i>o</i>-Phenylenebis(pyridine-2-carboxamidato)) (dimethylaminopyridine) (nitrosyl)manganese(II) heptakis ethanol solvate hydrate |
|---|---|
| Chemical name | octakis{[4-(dimethylamino)pyridine](nitrosyl)[<i>N</i>,<i>N</i>'-(<i>o</i>- phenylene)bis(pyridine-2-carboxamidato)]manganese(II)} ethanol heptasolvate 3.5-hydrate |
| Formula | C26.75 H28.12 Mn N7 O4.31 |
| Calculated formula | C26.75 H27.25 Mn N7 O4.3125 |
| Title of publication | [Mn(bpb)(DMAP)(NO)], an {Mn‒NO}^6^ nitrosyl with <i>Z</i>' = 8 |
| Authors of publication | Olmstead, Marilyn M.; Eroy-Reveles, A. Alegra; Mascharak, Pradip K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1451 - m1452 |
| a | 24.943 ± 0.003 Å |
| b | 14.4343 ± 0.0018 Å |
| c | 29.688 ± 0.004 Å |
| α | 90° |
| β | 101.19 ± 0.003° |
| γ | 90° |
| Cell volume | 10486 ± 2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.2135 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1206 |
| Weighted residual factors for all reflections included in the refinement | 0.1514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.637 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181242 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/20. |
2232095.cif 2232095.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232095.cif 2232095.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232095.cif 2232095.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232095.cif 2232095.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232095.cif 2232095.hkl |
| 29389 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232095 via cif-deposit CGI script. |
2232095.cif |
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Users of the data should acknowledge the original authors of the
structural data.