Crystallography Open Database

Information card for entry 7702446

Preview

Coordinates	7702446.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[Ag(pybut)]BF4.MeCN}n
Chemical name	'{Ag[1,4-bis(4-pyridyl)butadiyne]tetrafluoroborate}.acetonitrile solvate'
Formula	C16 H11 Ag B F4 N3
Calculated formula	C16 H8 Ag B F4 N3
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	8.175 ± 0.003 Å
b	7.147 ± 0.002 Å
c	14.917 ± 0.004 Å
α	90°
β	91.28 ± 0.03°
γ	90°
Cell volume	871.3 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1241
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	Yes
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.	7702446.cif