Crystallography Open Database

Information card for entry 7702450

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Coordinates	7702450.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[agdbp]Ac
Chemical name	[1,4-Bis(4'-pyridyl)butadiynesilver(I)] acetate tris(hydrate) methanol solvate
Formula	C17.17 H19.18 Ag N2 O4.92
Calculated formula	C17.1633 H14.3333 Ag N2 O4.91667
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	13.8638 ± 0.0012 Å
b	14.1102 ± 0.0012 Å
c	15.8947 ± 0.0013 Å
α	82.284 ± 0.002°
β	89.338 ± 0.002°
γ	72.359 ± 0.002°
Cell volume	2934.9 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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.	7702450.cif