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Information card for entry 4318321
Preview
| Coordinates | 4318321.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H60 N2 P4 Re6 Se8 |
|---|---|
| Calculated formula | C38 H72 N2 P4 Re6 Se8 |
| SMILES | C(C)[P](CC)(CC)[Re]1234567[Se]8[Re]9%10%11%12%132([P](CC)(CC)CC)[Re]2%14%15%16%17%18([P](CC)(CC)CC)[Re]%19%20%21%223([Se]1[Re]4892%19(C#N)([Se]%16%21)[Se]%12%17)([P](CC)(CC)CC)[Re]5%10%14(C#N)([Se]%15%20)([Se]6%11)([Se]7%22)[Se]%13%18.c1ccccc1.c1ccccc1 |
| Title of publication | Site-Differentiated Hexanuclear Rhenium(III) Cyanide Clusters [Re6Se8(PEt3)n(CN)6-n]n-4 (n= 4, 5) and Kinetics of Solvate Ligand Exchange on the Cubic [Re6Se8]2+ Core |
| Authors of publication | Thomas G. Gray; R. H. Holm |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 4211 - 4216 |
| a | 10.5369 ± 0.0009 Å |
| b | 11.6919 ± 0.001 Å |
| c | 12.8561 ± 0.0011 Å |
| α | 71.208 ± 0.002° |
| β | 82.033 ± 0.002° |
| γ | 70.62 ± 0.002° |
| Cell volume | 1413.5 ± 0.2 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 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 | 0.0391 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.726 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179263 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/83. |
4318321.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318321.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318321.cif |
| 15034 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4318321 via cif-deposit CGI script. |
4318321.cif |
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