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Information card for entry 4309724
Preview
| Coordinates | 4309724.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | di-μ-hydroxo-bis((N,N,N',N'-tetramethyl-(1R,2R)-trans- cyclohexanediamine-κ^2^N,N')copper(II)) bis(trifluoromethanesulfonate) |
|---|---|
| Formula | C22 H46 Cu2 F6 N4 O8 S2 |
| Calculated formula | C22 H46 Cu2 F6 N4 O8 S2 |
| SMILES | [Cu]12([OH][Cu]3([OH]1)[N]([C@H]1[C@H]([N]3(C)C)CCCC1)(C)C)[N]([C@H]1[C@H]([N]2(C)C)CCCC1)(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity |
| Authors of publication | Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 7345 - 7364 |
| a | 13.77 ± 0.002 Å |
| b | 8.508 ± 0.001 Å |
| c | 15.258 ± 0.001 Å |
| α | 90° |
| β | 108.212 ± 0.008° |
| γ | 90° |
| Cell volume | 1698 ± 0.3 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.076 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1361 |
| Weighted residual factors for all reflections included in the refinement | 0.1497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179135 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/97. |
4309724.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309724.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309724.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309724.cif |
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