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Information card for entry 4071619
Preview
| Coordinates | 4071619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | brayton1 |
|---|---|
| Chemical name | brayton1 |
| Formula | C18 H32 P2 |
| Calculated formula | C18 H32 P2 |
| SMILES | P(C(C)C)(C(C)C)c1ccc(P(C(C)C)C(C)C)cc1 |
| Title of publication | Synthesis and Structure of Molybdenum and Tungsten Bisphosphine Carbonyl Dimers |
| Authors of publication | Brayton, Daniel F.; Heinekey, D. Michael |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3901 |
| a | 10.2911 ± 0.0005 Å |
| b | 8.0562 ± 0.0005 Å |
| c | 23.5323 ± 0.0014 Å |
| α | 90° |
| β | 99.591 ± 0.003° |
| γ | 90° |
| Cell volume | 1923.73 ± 0.19 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.125 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1336 |
| Weighted residual factors for all reflections included in the refinement | 0.1619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4071619.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4071619.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4071619.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4071619.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071619.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071619.cif |
| 43948 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071618, 4071619, 4071620, 4071621 via cif-deposit CGI script. |
4071619.cif |
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Users of the data should acknowledge the original authors of the
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