Crystallography Open Database

Information card for entry 7120880

7120879 << 7120880 >> 7120881

Preview

Coordinates	7120880.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	local reference Estr. 1031 "Pt4Ag2"
Chemical name	Compound 2
Formula	C60 H24 Ag2 Cl40 O8 Pt4
Calculated formula	C60 H12 Ag2 Cl40 O8 Pt4
Title of publication	A route to small clusters: a twisted half-hexagram-shaped M4(OH)4 cluster and its capacity for hosting closed-shell metals
Authors of publication	Ara, I.; García-Monforte, M. A.; González, R.; Falvello, L. R.; Tomás, M.
Journal of publication	Chemical Communications
Year of publication	2017
a	16.8782 ± 0.0005 Å
b	17.995 ± 0.0007 Å
c	31.0107 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	9418.7 ± 0.5 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1795
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
203399 (current)	2017-11-21	cif/ Adding structures of 7120880, 7120881 via cif-deposit CGI script.	7120880.cif