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Information card for entry 4340165
Preview
| Coordinates | 4340165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H45 Cl4 Mn2 N6 O13 |
|---|---|
| Calculated formula | C40 H45 Cl4 Mn2 N6 O13 |
| SMILES | [Mn]12345[O]6[Mn]78([O]=C(O1)C)(OC(=[O]2)C)[N](Cc1c6c(cc(c1)C)C[N]3(CCc1[n]4cccc1)Cc1[n]5cccc1)(CCc1[n]7cccc1)Cc1[n]8cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].ClCCl |
| Title of publication | Studies of a dinuclear manganese complex with phenoxo and bis-acetato bridging in the Mn2(II,II) and Mn2(II,III) states: Coordination structural shifts and oxidation state control in bridged dinuclear complexes. |
| Authors of publication | Gultneh, Yilma; Tesema, Yohannes T.; Yisgedu, Teshome B.; Butcher, Ray J.; Wang, Guangbin; Yee, Gordon T. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 7 |
| Pages of publication | 3023 - 3033 |
| a | 11.16 ± 0.03 Å |
| b | 14.2 ± 0.05 Å |
| c | 16.46 ± 0.06 Å |
| α | 106.08 ± 0.08° |
| β | 96.19 ± 0.08° |
| γ | 95.71 ± 0.08° |
| Cell volume | 2469 ± 14 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0687 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1069 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.924 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4340165.cif |
| 179504 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/01. |
4340165.cif |
| 118656 | 2014-06-30 | cif/ Adding structures of 4340165 via cif-deposit CGI script. |
4340165.cif |
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Users of the data should acknowledge the original authors of the
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