Crystallography Open Database

Information card for entry 4086007

Preview

Coordinates	4086007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H131 Ag4 F24 N21 P4
Calculated formula	C130 H131 Ag4 F24 N21 P4
SMILES	[Ag]1=C2N(CCN3Cc4c5c(c(CN(CCN6C=CN(Cc7ccccc7)C6=[Ag]=C6N(CCN7Cc8c9c(c(CN(CCN%10C=CN(Cc%11ccccc%11)C%10=[Ag]=C%10N(CC7)C=CN%10Cc7ccccc7)CCN7=CCN(C=17)Cc1ccccc1)c1c8cccc1)cccc9)C=CN6Cc1ccccc1)CCN1C=CN(C1=[Ag]=C1N(CC3)C=CN1Cc1ccccc1)Cc1ccccc1)c1c4cccc1)cccc5)C=CN2Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
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	17.5804 ± 0.0018 Å
b	35.051 ± 0.004 Å
c	23.265 ± 0.002 Å
α	90°
β	99.125 ± 0.002°
γ	90°
Cell volume	14155 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 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	0.086
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1815
Weighted residual factors for all reflections included in the refinement	0.1918
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
152887 (current)	2015-08-05	cif/ Updating files of 4086005, 4086006, 4086007, 4086008, 4086009 Original log message: Adding full bibliography for 4086005--4086009.cif.	4086007.cif
139816	2015-07-01	cif/ Adding structures of 4086007 via cif-deposit CGI script.	4086007.cif