Crystallography Open Database

Information card for entry 7056000

Preview

Structure parameters

Formula	C24 H22 F12 N6 P2
Calculated formula	C24 H22 F12 N6 P2
SMILES	[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].c1(ccccn1)n1c[n+](Cc2c(cccc2)Cn2c[n+](c3ccccn3)cc2)cc1
Title of publication	Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents
Authors of publication	Jana, Barun; Ghosh, Pradyut
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	5
Pages of publication	2131
a	14.145 ± 0.002 Å
b	10.0424 ± 0.0016 Å
c	19.296 ± 0.003 Å
α	90°
β	93.899 ± 0.004°
γ	90°
Cell volume	2734.6 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0721
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7056000.cif
193872	2017-03-05	cif/ Updating files of 7056000, 7056001, 7056002, 7056003, 7056004, 7056005 Original log message: Adding full bibliography for 7056000--7056005.cif.	7056000.cif
191929	2017-02-09	cif/ Adding structures of 7056000, 7056001, 7056002, 7056003, 7056004, 7056005 via cif-deposit CGI script.	7056000.cif