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Information card for entry 4337255
Preview
| Coordinates | 4337255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H41 Cl3 Cu2 N16 O15 |
|---|---|
| Calculated formula | C40 H41 Cl3 Cu2 N16 O15 |
| Title of publication | Dinuclear Metallacycles with Single M-O(H)-M Bridges [M = Fe(II), Co(II), Ni(II), Cu(II)]: Effects of Large Bridging Angles on Structure and Antiferromagnetic Superexchange Interactions. |
| Authors of publication | Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 1975 - 1988 |
| a | 11.6805 ± 0.0005 Å |
| b | 14.072 ± 0.0006 Å |
| c | 15.4802 ± 0.0006 Å |
| α | 93.721 ± 0.001° |
| β | 103.333 ± 0.001° |
| γ | 101.286 ± 0.001° |
| Cell volume | 2411.79 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0502 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4337255.cif |
| 179475 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/72. |
4337255.cif |
| 106240 | 2014-03-15 | cif/ Adding structures of 4337253, 4337254, 4337255, 4337256, 4337257, 4337258, 4337259, 4337260 via cif-deposit CGI script. |
4337255.cif |
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Users of the data should acknowledge the original authors of the
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