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Information card for entry 4301915
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| Coordinates | 4301915.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Manganese dilapacholate |
|---|---|
| Chemical name | Bis-(2-hydroxy-3-(3-methyl-2-butenyl)- 1,4-naphtoquinonate)manganese(II) |
| Formula | C30 H26 Mn O6 |
| Calculated formula | C30 H26 Mn O6 |
| Title of publication | Crystal and Molecular Structure of Manganese(II) Lapacholate, a Novel Polymeric Species Undergoing Temperature-Reversible Metal to Ligand Electron Transfer |
| Authors of publication | Francesco Caruso; Miguel A. Martínez; Miriam Rossi; Alexander Goldberg; M. Elizabeth Chacón Villalba; Pedro J. Aymonino |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 3529 - 3534 |
| a | 13.2925 ± 0.0004 Å |
| b | 13.2925 ± 0.0004 Å |
| c | 14.6653 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2591.22 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.0669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201211 (current) | 2017-09-25 | cif/ Moving the _chemical_name_systematic data item out of the looped context in entries 2015347, 2203896, 2204946, 2208886, 2211649, 2220833, 2300298, 2300448, 4301914, 4301915, 4301916, 4311114, 7004590. |
4301915.cif |
| 179057 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/19. |
4301915.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301915.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301915.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301915.cif |
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Users of the data should acknowledge the original authors of the
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