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Information card for entry 4301611
Preview
| Coordinates | 4301611.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H60 N4 Rh2 W |
|---|---|
| Calculated formula | C32 H60 N4 Rh2 W |
| SMILES | [Rh]1234(N(C(C)(C)C)[W]5(N(C(C)(C)C)[Rh]678(N5C(C)(C)C)[CH]5=[CH]8CC[CH]6=[CH]7CC5)N1C(C)(C)C)[CH]1=[CH]3CC[CH]4=[CH]2CC1 |
| Title of publication | Structural Tungsten-Imido Chemistry: The Gas-Phase Structure of W(NBut)2(NHBut)2 and the Solid-State Structures of Novel Heterobimetallic W/N/M (M = Rh, Pd, Zn) Species |
| Authors of publication | Hamid Choujaa; Samuel D. Cosham; Andrew L. Johnson; Graeme R. Kafka; Mary F. Mahon; Sarah L. Masters; Kieran C. Molloy; David W. H. Rankin; Heather E. Robertson; Derek A. Wann |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 2289 - 2299 |
| a | 10.438 ± 0.0001 Å |
| b | 11.645 ± 0.0002 Å |
| c | 14.804 ± 0.0002 Å |
| α | 90° |
| β | 108.135 ± 0.001° |
| γ | 90° |
| Cell volume | 1710.05 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1274 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1253 |
| Weighted residual factors for all reflections included in the refinement | 0.1502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179054 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/16. |
4301611.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301611.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301611.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301611.cif |
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Users of the data should acknowledge the original authors of the
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