Crystallography Open Database

Information card for entry 1553114

Preview

Coordinates	1553114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.25 H52.25 B Cl2.75 F4 N O3 Os P2
Calculated formula	C56.25 H52.25 B Cl2.75 F4 N O3 Os P2
SMILES	[CH]12=[CH]3CC(=[O][Os]23([NH]=C(C(=C1[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl)c1ccccc1.[F-][B](F)(F)F.C(Cl)(Cl)Cl.O.O
Title of publication	Reactions of osmapyridinium with terminal alkynes
Authors of publication	Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping
Journal of publication	Organic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	5
Pages of publication	560
a	11.9299 ± 0.0003 Å
b	14.1946 ± 0.0003 Å
c	33.0235 ± 0.0007 Å
α	90°
β	98.576 ± 0.001°
γ	90°
Cell volume	5529.7 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	9
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	0.0694
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1635
Weighted residual factors for all reflections included in the refinement	0.172
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233608 (current)	2019-11-23	cif/ Adding structures of 1553113, 1553114, 1553115, 1553116 via cif-deposit CGI script.	1553114.cif