Crystallography Open Database

Information card for entry 4087941

Preview

Coordinates	4087941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 Au2 Cl6 F6 N2 O6 P2 S2
Calculated formula	C40 H34 Au2 Cl6 F6 N2 O6 P2 S2
SMILES	c1ccccc1[P]1(c2ccccc2)[Au][NH2]c2c([P](c3ccccc3)(c3ccccc3)[Au][NH2]c3c1cccc3)cccc2.FC(F)(F)S(=O)(=O)[O-].C(Cl)(Cl)Cl.FC(F)(F)S(=O)(=O)[O-].C(Cl)(Cl)Cl
Title of publication	The Chemistry of ortho-(Diarylphosphino)aryl Isocyanides
Authors of publication	Zhang, Lujun; Yu, Wenfei; Liu, Changchun; Xu, Youzhi; Duan, Zheng; Mathey, Francois
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	24
Pages of publication	5697
a	9.922 ± 0.0003 Å
b	13.4139 ± 0.0003 Å
c	18.8864 ± 0.0004 Å
α	90°
β	94.357 ± 0.002°
γ	90°
Cell volume	2506.38 ± 0.11 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 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	0.0594
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1405
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237145 (current)	2019-11-24	cif/ Adding structures of 4087941 via cif-deposit CGI script.	4087941.cif