Crystallography Open Database

Information card for entry 2241830

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Structure parameters

Chemical name	[μ-Ethane-1,2-diylbis(diphenylphosphane)-κ^2^<i>P</i>:<i>P</i>']bis[pentacarbonyltungsten(0)]
Formula	C36 H24 O10 P2 W2
Calculated formula	C36 H24 O10 P2 W2
SMILES	c1(ccccc1)[P](c1ccccc1)([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])CC[P](c1ccccc1)(c1ccccc1)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Crystal structure of (OC)~5~W(μ-dppe)W(CO)~5~
Authors of publication	Drake, Hannah F.; Wheeler, Kraig A.; Bellott, Brian J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	10
Pages of publication	1383 - 1385
a	9.8193 ± 0.0004 Å
b	16.0492 ± 0.0007 Å
c	11.3312 ± 0.0005 Å
α	90°
β	96.511 ± 0.002°
γ	90°
Cell volume	1774.19 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0239
Residual factor for significantly intense reflections	0.0206
Weighted residual factors for significantly intense reflections	0.0465
Weighted residual factors for all reflections included in the refinement	0.0478
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
186170 (current)	2016-09-06	cif/ hkl/ Adding structures of 2241830 via cif-deposit CGI script.	2241830.cif 2241830.hkl