Crystallography Open Database

Information card for entry 7708038

Preview

Coordinates	7708038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H5 O10 P Se W2
Calculated formula	C16 H5 O10 P Se W2
SMILES	[W](P([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[Se]c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Reactivity of the pentelidene complexes [Cp*E{W(CO)<sub>5</sub>}<sub>2</sub>] (E = P, As) towards dichalcogenides and chalcogenols - synthesis of novel chalcogenopentelidene complexes.
Authors of publication	Rummel, Lena; Lassandro, Giuliano; Seidl, Michael; Timoshkin, Alexey Y.; Scheer, Manfred
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	36
Pages of publication	12648 - 12654
a	7.0151 ± 0.0001 Å
b	16.446 ± 0.0002 Å
c	18.4907 ± 0.0002 Å
α	90°
β	99.74 ± 0.001°
γ	90°
Cell volume	2102.53 ± 0.05 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	6
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	0.0299
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269725 (current)	2021-10-06	cif/ Updating files of 7708032, 7708033, 7708034, 7708035, 7708036, 7708037, 7708038, 7708039 Original log message: Adding full bibliography for 7708032--7708039.cif.	7708038.cif
268059	2021-08-13	cif/ Adding structures of 7708032, 7708033, 7708034, 7708035, 7708036, 7708037, 7708038, 7708039 via cif-deposit CGI script.	7708038.cif