Crystallography Open Database

Information card for entry 7121252

Preview

Coordinates	7121252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H59.7 Cl6.3 O2 P2 Si W
Calculated formula	C34 H59.7 Cl6.3 O2 P2 Si 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	10.9285 ± 0.0002 Å
b	19.4442 ± 0.0004 Å
c	20.0693 ± 0.0005 Å
α	90°
β	98.632 ± 0.002°
γ	90°
Cell volume	4216.34 ± 0.16 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0456
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	7121252.cif
206281	2018-02-08	cif/ Adding structures of 7121252, 7121253, 7121254, 7121255 via cif-deposit CGI script.	7121252.cif