Crystallography Open Database

Information card for entry 1502720

Preview

Coordinates	1502720.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C60biph5hexSAc_CS2_2
Formula	C266 H120 O2 S4
Calculated formula	C266 H120 O2 S4
Title of publication	Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property
Authors of publication	Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2010
Journal volume	114
Journal issue	41
Pages of publication	17741
a	17.009 Å
b	22.21 Å
c	22.825 Å
α	99.68°
β	104.3°
γ	90.07°
Cell volume	8228.22 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2931
Residual factor for significantly intense reflections	0.1072
Weighted residual factors for significantly intense reflections	0.2616
Weighted residual factors for all reflections included in the refinement	0.3687
Goodness-of-fit parameter for all reflections included in the refinement	0.933
Diffraction radiation probe	x-ray
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502720.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502720.cif
36669	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502720 via cif-deposit CGI script.	1502720.cif