Crystallography Open Database

Information card for entry 1544744

Preview

Coordinates	1544744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H51 Au B F2 N2 P
Calculated formula	C39 H51 Au B F2 N2 P
SMILES	[Au](C#Cc1c(n2c(c1C)C(=c1[n](c(cc1C)C)[B]2(F)F)c1ccccc1)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
Title of publication	The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.
Authors of publication	Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming
Journal of publication	Chemical science
Year of publication	2017
Journal volume	8
Journal issue	3
Pages of publication	2352 - 2364
a	10.9501 ± 0.0006 Å
b	25.1526 ± 0.0013 Å
c	13.6349 ± 0.0007 Å
α	90°
β	102.556 ± 0.001°
γ	90°
Cell volume	3665.6 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.0417
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
196362 (current)	2017-05-06	cif/ Updating files of 1544742, 1544743, 1544744 Original log message: Adding full bibliography for 1544742--1544744.cif.	1544744.cif
193737	2017-03-05	cif/ Updating files of 1544742, 1544743, 1544744 Original log message: Adding full bibliography for 1544742--1544744.cif.	1544744.cif
188964	2016-12-06	cif/ Adding structures of 1544742, 1544743, 1544744 via cif-deposit CGI script.	1544744.cif