Crystallography Open Database

Information card for entry 7704963

Preview

Coordinates	7704963.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	rd36mn49
Formula	C18 H15 Au Cl10 N3 Tl
Calculated formula	C18 H15 Au Cl10 N3 Tl
Title of publication	Metallophilic Au(i)M(i) interactions (M = Tl, Ag) in heteronuclear complexes with 1,4,7-triazacyclononane: structural features and optical properties.
Authors of publication	Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Monge, Miguel; Nieddu, Mattia; Olmos, M. Elena
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	31
Pages of publication	10983 - 10993
a	9.8906 ± 0.0014 Å
b	10.6441 ± 0.0015 Å
c	13.108 ± 0.002 Å
α	86.361 ± 0.005°
β	87.662 ± 0.005°
γ	73.88 ± 0.005°
Cell volume	1322.6 ± 0.3 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0907
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation probe	x-ray
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
256095 (current)	2020-09-06	cif/ Updating files of 7704963, 7704964, 7704965 Original log message: Adding full bibliography for 7704963--7704965.cif.	7704963.cif
254663	2020-07-30	cif/ Adding structures of 7704963, 7704964, 7704965 via cif-deposit CGI script.	7704963.cif