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Information card for entry 4103316
Preview
| Coordinates | 4103316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | hexacarbonyldi-μ-chloro(μ-4,5-bis(trimethylsilyl)pyridazine-κN1:κN2) dirhenium |
|---|---|
| Formula | C16 H20 Cl2 N2 O6 Re2 Si2 |
| Calculated formula | C16 H20 Cl2 N2 O6 Re2 Si2 |
| SMILES | C(#[O])[Re]12(C#[O])([n]3cc([Si](C)(C)C)c(c[n]3[Re]([Cl]1)(C#[O])(C#[O])(C#[O])[Cl]2)[Si](C)(C)C)C#[O] |
| Title of publication | Highly Emitting Concomitant Polymorphic Crystals of a Dinuclear Rhenium Complex |
| Authors of publication | Elsa Quartapelle Procopio; Matteo Mauro; Monica Panigati; Daniela Donghi; Pierluigi Mercandelli; Angelo Sironi; Giuseppe D'Alfonso; Luisa De Cola |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 14397 - 14399 |
| a | 10.99 ± 0.002 Å |
| b | 12.734 ± 0.002 Å |
| c | 18.542 ± 0.002 Å |
| α | 90° |
| β | 101.8 ± 0.02° |
| γ | 90° |
| Cell volume | 2540.1 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0239 |
| Residual factor for significantly intense reflections | 0.0194 |
| Weighted residual factors for significantly intense reflections | 0.0348 |
| Weighted residual factors for all reflections included in the refinement | 0.0359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178779 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/33. |
4103316.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103316.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103316.cif |
| 26297 | 2011-09-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4103316 via cif-deposit CGI script. |
4103316.cif |
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Users of the data should acknowledge the original authors of the
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