Crystallography Open Database

Information card for entry 4086006

Preview

Coordinates	4086006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Hg I4 N5
Calculated formula	C22 H30 Hg I4 N5
Title of publication	NHC Tetranuclear Silver(I) Complexes and Intramolecular Extended π‒π Interactions
Authors of publication	Liu, Qing-Xiang; Huo, Ran; Liu, Jun; Wei, Qing; Zhao, Xiao-Jun; Zhao, Zhi-Xiang
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	13
Pages of publication	3167
a	9.4478 ± 0.0011 Å
b	18.521 ± 0.002 Å
c	17.671 ± 0.002 Å
α	90°
β	93.777 ± 0.002°
γ	90°
Cell volume	3085.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
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	0.0743
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1634
Weighted residual factors for all reflections included in the refinement	0.1705
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
152887 (current)	2015-08-05	cif/ Updating files of 4086005, 4086006, 4086007, 4086008, 4086009 Original log message: Adding full bibliography for 4086005--4086009.cif.	4086006.cif
139815	2015-07-01	cif/ Adding structures of 4086006 via cif-deposit CGI script.	4086006.cif