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Information card for entry 4073938
Preview
| Coordinates | 4073938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H72 Au2 P2 S2 Zr |
|---|---|
| Calculated formula | C62 H72 Au2 P2 S2 Zr |
| SMILES | [Au]([S]([Au]1[P](c2ccccc2)(c2ccccc2)c2ccccc2)[Zr]23456789(S1)([c]1([cH]2[c]4([cH]5[cH]61)C(C)(C)C)C(C)(C)C)[c]1([cH]7[c]8([cH]9[cH]31)C(C)(C)C)C(C)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | The Anions [Cptt2Zr(μ-S)2M(CO)2]-(M = Rh, Ir) as Versatile Precursors for the Synthesis of Sulfido-Bridged Early−Late Heterotrimetallic (ELHT) Compounds† |
| Authors of publication | Hernandez-Gruel, Marc A. F.; Dobrinovitch, Isabel T.; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 25 |
| Pages of publication | 6437 |
| a | 10.344 ± 0.0007 Å |
| b | 38.998 ± 0.003 Å |
| c | 13.9883 ± 0.0009 Å |
| α | 90° |
| β | 96.252 ± 0.001° |
| γ | 90° |
| Cell volume | 5609.3 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0561 |
| Weighted residual factors for all reflections included in the refinement | 0.0594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.917 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178628 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/39. |
4073938.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073938.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073938.cif |
| 46639 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073937, 4073938 via cif-deposit CGI script. |
4073938.cif |
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Users of the data should acknowledge the original authors of the
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