Crystallography Open Database

Information card for entry 7046604

Preview

Coordinates	7046604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H3 Ag N6
Calculated formula	C12 H3 Ag N6
Title of publication	Solvent effects on the crystal structure of silver pentacyanocyclopentadienide: supramolecular isomerism and solvent coordination.
Authors of publication	Nimax, P. R.; Reimann, D.; Sünkel, K
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	25
Pages of publication	8476 - 8482
a	36.9518 ± 0.001 Å
b	3.8303 ± 0.0001 Å
c	20.8394 ± 0.0006 Å
α	90°
β	119.687 ± 0.001°
γ	90°
Cell volume	2562.39 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0321
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7046604.html