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Information card for entry 8102149
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| Coordinates | 8102149.cif |
|---|
| Chemical name | bis[bis(1,10-phenanthroline-N,N')(μ-2-iodo-benzoato)manganese(II)] diiodide dihydrate, [Mn(C7H4O2I)(C12H8N2)2]2I2 τimes 2H~2~O |
|---|---|
| Formula | C62 H44 I4 Mn2 N8 O6 |
| Calculated formula | C62 H44 I4 Mn2 N8 O6 |
| Title of publication | Crystal structure of bis(bis(1,10-phenanthroline-N,N')(μ-2- iodobenzoato)manganese(II)) diiodide dihydrate, [Mn~2~(C~7~H~4~O~2~I) ~2~(C~12~H~8~N~2~)~4~][I]~2~ · 2H~2~O |
| Authors of publication | Zhang, Bi-Song |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 274 - 276 |
| a | 13.7928 ± 0.0012 Å |
| b | 19.7357 ± 0.0019 Å |
| c | 11.2061 ± 0.001 Å |
| α | 90° |
| β | 93.572 ± 0.004° |
| γ | 90° |
| Cell volume | 3044.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1613 |
| Residual factor for significantly intense reflections | 0.0754 |
| Weighted residual factors for significantly intense reflections | 0.2062 |
| Weighted residual factors for all reflections included in the refinement | 0.2417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194594 (current) | 2017-03-29 | cif/8/10/ (antanas@echidna.ibt.lt) Replacing the "·" substring with the "\\times " substring in the values of the _chemical_formula_structural and _chemical_name_systematic data items in entries 8101941, 8102149. |
8102149.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102149.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102149.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102149.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102149.cif |
| 12888 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102149 via cif-deposit CGI script. |
8102149.cif |
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