Crystallography Open Database

Information card for entry 7039340

Preview

Coordinates	7039340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 Ag Cl N2 O2
Calculated formula	C19 H20 Ag Cl N2 O2
SMILES	[Ag](Cl)=C1N(C=CN1Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
Title of publication	Carboxylation of terminal alkynes with CO2 using novel silver N-heterocyclic carbene complexes.
Authors of publication	Li, Shanshan; Sun, Jing; Zhang, Zhizhi; Xie, Ruixia; Fang, Xiangchen; Zhou, Mingdong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	26
Pages of publication	10577 - 10584
a	14.281 ± 0.003 Å
b	8.041 ± 0.002 Å
c	17.283 ± 0.004 Å
α	90°
β	107.309 ± 0.004°
γ	90°
Cell volume	1894.8 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0469
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
185345 (current)	2016-08-07	cif/ Updating files of 7039337, 7039338, 7039339, 7039340 Original log message: Adding full bibliography for 7039337--7039340.cif.	7039340.cif
183137	2016-05-28	cif/ Adding structures of 7039337, 7039338, 7039339, 7039340 via cif-deposit CGI script.	7039340.cif