Crystallography Open Database

Information card for entry 7122629

Preview

Coordinates	7122629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 As4 K10 N16 O10 W6
Calculated formula	C16 As4 K10 N16 O10 W6
Title of publication	From oxide to a new type of molecular tungsten compound: formation of bitetrahedral cluster complexes [{W<sub>6</sub>(μ<sub>4</sub>-O)<sub>2</sub>(μ<sub>3</sub>-CCN)<sub>4</sub>}(CN)<sub>16</sub>]<sup>10-</sup> and [{W<sub>6</sub>(μ<sub>4</sub>-O)<sub>2</sub>(μ<sub>3</sub>-As)<sub>4</sub>}(CN)<sub>16</sub>]<sup>10</sup>.
Authors of publication	Yarovoy, Spartak S.; Smolentsev, Anton I.; Kozlova, Svetlana G.; Kompankov, Nikolay B.; Gayfulin, Yakov M.; Asanov, Igor P.; Yanshole, Vadim V.; Mironov, Yuri V.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	98
Pages of publication	13837 - 13840
a	11.844 ± 0.0003 Å
b	17.5913 ± 0.0004 Å
c	12.0559 ± 0.0003 Å
α	90°
β	107.084 ± 0.001°
γ	90°
Cell volume	2401.03 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0459
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228257 (current)	2019-11-17	cif/ Updating files of 7122628, 7122629 Original log message: Adding full bibliography for 7122628--7122629.cif.	7122629.cif
212159	2018-11-24	cif/ Adding structures of 7122628, 7122629 via cif-deposit CGI script.	7122629.cif