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Information card for entry 4302127
Preview
| Coordinates | 4302127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Chisholm 1695 |
|---|---|
| Formula | C72 H108 O10 W2 |
| Calculated formula | C72 H108 O10 W2 |
| Title of publication | Quadruply Bonded Dimetal Units Supported by 2,4,6-Triisopropylbenzoates MM(TiPB)4 (MM = Mo2, MoW, and W2): Preparation and Photophysical Properties |
| Authors of publication | Brian G. Alberding; Malcolm H. Chisholm; Yi-Hsuan Chou; Judith C. Gallucci; Yagnaseni Ghosh; Terry L. Gustafson; Nathan J. Patmore; Carly R. Reed; Claudia Turro |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 4394 - 4399 |
| a | 11.8352 ± 0.0001 Å |
| b | 12.2014 ± 0.0001 Å |
| c | 14.1662 ± 0.0001 Å |
| α | 67.441 ± 0.001° |
| β | 70.731 ± 0.001° |
| γ | 88.835 ± 0.001° |
| Cell volume | 1770.03 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.059 |
| Weighted residual factors for all reflections included in the refinement | 0.0628 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4302127.cif |
| 179059 | 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 4/30/21. |
4302127.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4302127.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4302127.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4302127.cif |
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