Crystallography Open Database

Information card for entry 4106081

Preview

Coordinates	4106081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H50 Cu P S6
Calculated formula	C116 H50 Cu P S6
Title of publication	Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides
Authors of publication	Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	6841 - 6851
a	17.674 ± 0.004 Å
b	23.521 ± 0.005 Å
c	18.549 ± 0.004 Å
α	90°
β	96.942 ± 0.003°
γ	90°
Cell volume	7654 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1021
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
178806 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/60.	4106081.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106081.cif
52871	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106081 via cif-deposit CGI script.	4106081.cif