Crystallography Open Database

Information card for entry 4086940

Preview

Coordinates	4086940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.25 H51.25 Cl4 O0.75 Os P2
Calculated formula	C56.25 H40 Cl4 O0.75 Os P2
Title of publication	Reactions of Osmium Carbyne Complexes OsCl3(≡CR)(PPh3)2 (R = CH═CPh2, CH2Ar) with Bromine and Hydrogen Peroxide
Authors of publication	Bai, Wei; Lee, Ka-Ho; Hung, Wai Yiu; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	3
Pages of publication	657
a	12.91509 ± 0.00014 Å
b	17.98521 ± 0.00019 Å
c	20.77311 ± 0.00019 Å
α	90°
β	91.5799 ± 0.0008°
γ	90°
Cell volume	4823.36 ± 0.09 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
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	0.0208
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.0412
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation probe	x-ray
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
193627 (current)	2017-03-04	cif/ Updating files of 4086939, 4086940, 4086941 Original log message: Adding full bibliography for 4086939--4086941.cif.	4086940.cif
190677	2017-01-19	cif/ Adding structures of 4086939, 4086940, 4086941 via cif-deposit CGI script.	4086940.cif