Crystallography Open Database

Information card for entry 7702451

Preview

Coordinates	7702451.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[AgPyCCPhCCPy]PF6CH3CN}n
Chemical name	1,4-Bis(4'-pyridylethynyl)benzenesilver(I) hexafluorophosphate acetonitrile solvate
Formula	C22 H15 Ag F6 N3 P
Calculated formula	C22 H15 Ag F6 N3 P
Title of publication	Long-range chain orientation in 1-D co-ordination polymers as a function of anions and intermolecular aromatic interactions
Authors of publication	Blake, Alexander J.; Baum, Gerhard; Champness, Neil R.; Chung, Simon S. M.; Cooke, Paul A.; Fenske, Dieter; Khlobystov, Andrei N.; Lemenovskii, Dmitrii A.; Li, Wan-Sheung; Schröder, Martin
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	23
Pages of publication	4285
a	9.263 ± 0.002 Å
b	18.543 ± 0.004 Å
c	30.16 ± 0.006 Å
α	90°
β	91.93 ± 0.03°
γ	90°
Cell volume	5177.5 ± 1.9 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0715
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1711
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
243870 (current)	2019-11-28	cif/ Adding structures of 7702444, 7702445, 7702446, 7702447, 7702448, 7702449, 7702450, 7702451 via cif-deposit CGI script.	7702451.cif