Crystallography Open Database

Information card for entry 7118800

Preview

Coordinates	7118800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 Au F6 N3 P
Calculated formula	C20 H21 Au F6 N3 P
Title of publication	Homoleptic gold(i) N-heterocyclic allenylidene complexes: excited-state properties and lyotropic chromonics.
Authors of publication	Xiao, Xin-Shan; Zou, Chao; Guan, Xiangguo; Yang, Chen; Lu, Wei; Che, Chi-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	28
Pages of publication	4983 - 4986
a	15.7075 ± 0.0007 Å
b	6.8525 ± 0.0003 Å
c	20.3447 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2189.81 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181568 (current)	2016-04-05	cif/ Updating files of 7118798, 7118799, 7118800 Original log message: Adding full bibliography for 7118798--7118800.cif.	7118800.cif
176892	2016-02-25	cif/ Adding structures of 7118798, 7118799, 7118800 via cif-deposit CGI script.	7118800.cif