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Information card for entry 7013882
Preview
Coordinates | 7013882.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H71 B O3 P6 Se4 W3 |
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Calculated formula | C42 H71 B O3 P6 Se4 W3 |
SMILES | [W]12345([W]678([W]91([Se]26)([Se]7)([Se]4)([P](CC[P]9(C)C)(C)C)O)([Se]3)([P](C)(C)CC[P]8(C)C)O)([P](CC[P]5(C)C)(C)C)O.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis and structure of the incomplete cuboidal clusters [W3Se4H3(dmpe)3]+, [W3Se4H(3-x)(OH)x(dmpe)3]+ and [W3Se4(OH)3(dmpe)3]+, and the mechanism of the acid-assisted substitution of the coordinated hydrides. |
Authors of publication | Basallote, Manuel G.; Estevan, Francisco; Feliz, Marta; Jesús Fernández-Trujillo, M; Hoyos, Dora A.; Llusar, Rosa; Uriel, Santiago; Vicent, Cristian |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2004 |
Journal issue | 4 |
Pages of publication | 530 - 536 |
a | 11.1941 ± 0.0014 Å |
b | 15.1541 ± 0.0018 Å |
c | 17.022 ± 0.002 Å |
α | 82.358 ± 0.002° |
β | 82.591 ± 0.003° |
γ | 88.462 ± 0.002° |
Cell volume | 2837.9 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0686 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0834 |
Weighted residual factors for all reflections included in the refinement | 0.0969 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.915 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7013882.html
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Users of the data should acknowledge the original authors of the
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