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Information card for entry 7112917
Preview
| Coordinates | 7112917.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H96 Cl2 Rh2 Zn8 |
|---|---|
| Calculated formula | C62 H96 Cl2 Rh2 Zn8 |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Rh]1672345[Zn]23([Zn]45896([Zn]1(C)[Zn]16%10%1172[c]2([c]1([c]6([c]%10([c]%112C)C)C)C)C)[c]1([c]4([c]5([c]8([c]91C)C)C)C)C)[Cl][Zn]12([Cl]3)[Rh]345678([c]9([c]6([c]5([c]4([c]39C)C)C)C)C)[Zn](C)([Zn]345617[c]1([c]3([c]4([c]5([c]61C)C)C)C)C)[Zn]134528[c]2([c]1([c]3([c]4([c]52C)C)C)C)C)C)C)C)C |
| Title of publication | One electron organozinc ligands in metal rich molecules by Ga/Zn exchange: from Cp*Rh(GaCp*)2 to Cp*Rh(ZnR)4 units. |
| Authors of publication | Molon, Mariusz; Cadenbach, Thomas; Bollermann, Timo; Gemel, Christian; Fischer, Roland A. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 31 |
| Pages of publication | 5677 - 5679 |
| a | 10.5803 ± 0.0004 Å |
| b | 12.4484 ± 0.0005 Å |
| c | 16.6142 ± 0.0007 Å |
| α | 104.371 ± 0.004° |
| β | 103.069 ± 0.003° |
| γ | 100.675 ± 0.003° |
| Cell volume | 1996.15 ± 0.15 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0926 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1519 |
| Weighted residual factors for all reflections included in the refinement | 0.1601 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.871 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180243 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29. |
7112917.cif |
| 112160 | 2014-04-30 | cif/ Adding structures of 7112917, 7112918 via cif-deposit CGI script. |
7112917.cif |
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Users of the data should acknowledge the original authors of the
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