Crystallography Open Database

Information card for entry 7700301

Preview

Coordinates	7700301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H4 Au Cl2 F3 N2
Calculated formula	C12 H4 Au Cl2 F3 N2
Title of publication	4-Pyridylisocyanide gold(i) and gold(i)-plus-silver(i) luminescent and mechanochromic materials: the silver role.
Authors of publication	Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N; Espinet, Pablo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	28
Pages of publication	10412 - 10416
a	35.8917 ± 0.0007 Å
b	38.9207 ± 0.001 Å
c	13.6252 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	19033.5 ± 0.7 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.183
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1415
Weighted residual factors for all reflections included in the refinement	0.1918
Goodness-of-fit parameter for all reflections included in the refinement	0.91
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
223776 (current)	2019-11-07	cif/ Updating files of 7700298, 7700299, 7700300, 7700301 Original log message: Adding full bibliography for 7700298--7700301.cif.	7700301.cif
216126	2019-06-20	cif/ Adding structures of 7700298, 7700299, 7700300, 7700301 via cif-deposit CGI script.	7700301.cif