Crystallography Open Database

Information card for entry 7118799

Preview

Coordinates	7118799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Au F6 N2 O2 P
Calculated formula	C16 H22 Au F6 N2 O2 P
SMILES	[Au](=C=C=C(N1CCCC1)OC)=C=C=C(N1CCCC1)OC.[P](F)(F)(F)(F)(F)[F-]
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	7.3239 ± 0.0001 Å
b	13.6625 ± 0.0003 Å
c	21.1998 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2121.31 ± 0.16 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7118799.cif
176892	2016-02-25	cif/ Adding structures of 7118798, 7118799, 7118800 via cif-deposit CGI script.	7118799.cif