Crystallography Open Database

Information card for entry 7121253

Preview

Coordinates	7121253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H49 Cl6 O P2 W
Calculated formula	C27 H49 Cl6 O P2 W
Title of publication	An unusual alkylidyne homologation.
Authors of publication	Han, Yong-Shen; Hill, Anthony F.; Kong, Richard Y.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	18
Pages of publication	2292 - 2295
a	12.31677 ± 0.00014 Å
b	14.9414 ± 0.0003 Å
c	18.7844 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3456.89 ± 0.1 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228445 (current)	2019-11-17	cif/ Updating files of 7121252, 7121253, 7121254, 7121255 Original log message: Adding full bibliography for 7121252--7121255.cif.	7121253.cif
206281	2018-02-08	cif/ Adding structures of 7121252, 7121253, 7121254, 7121255 via cif-deposit CGI script.	7121253.cif