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Information card for entry 2229174
Preview
| Coordinates | 2229174.cif |
|---|---|
| Structure factors | 2229174.hkl |
| Original IUCr paper | HTML |
| Common name | Mo2(DAniF)3(OOCC6H5)(CH2Cl2) |
|---|---|
| Chemical name | (μ-Benzoato-κ^2^<i>O</i>:<i>O</i>')tris[μ-<i>N</i>,<i>N</i>'-bis(4- methoxyphenyl)formamidinato-κ^2^<i>N</i>:<i>N</i>']dimolybdenum(II) dichloromethane monosolvate |
| Formula | C53 H52 Cl2 Mo2 N6 O8 |
| Calculated formula | C53 H52 Cl2 Mo2 N6 O8 |
| Title of publication | (μ-Benzoato-κ^2^<i>O</i>:<i>O</i>')tris[μ-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)formamidinato-κ^2^<i>N</i>:<i>N</i>']dimolybdenum(II) dichloromethane monosolvate |
| Authors of publication | Han, L.-J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m256 |
| a | 12.025 ± 0.004 Å |
| b | 13.705 ± 0.004 Å |
| c | 17.727 ± 0.006 Å |
| α | 74.595 ± 0.004° |
| β | 85.646 ± 0.004° |
| γ | 67.238 ± 0.004° |
| Cell volume | 2596 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0559 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181212 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/91. |
2229174.cif 2229174.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229174.cif 2229174.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229174.cif 2229174.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. | 2229174.cif 2229174.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229174.cif 2229174.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229174.cif 2229174.hkl |
| 12237 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229174 via cif-deposit CGI script. |
2229174.cif |
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Users of the data should acknowledge the original authors of the
structural data.