Crystallography Open Database

Information card for entry 4071677

Preview

Coordinates	4071677.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	MoC60Me5ICO3
Formula	C69.5 H15 I Mo O3 S3
Calculated formula	C69.5 H15 I Mo O3 S3
Title of publication	Group 6 Metal Complexes of the η5-Pentamethyl[60]fullerene
Authors of publication	Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	18
Pages of publication	4611
a	16.872 ± 0.0019 Å
b	12.726 ± 0.0015 Å
c	20.054 ± 0.0011 Å
α	90°
β	90.298 ± 0.006°
γ	90°
Cell volume	4305.8 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1276
Residual factor for significantly intense reflections	0.0933
Weighted residual factors for significantly intense reflections	0.2404
Weighted residual factors for all reflections included in the refinement	0.2798
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071677.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071677.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071677.cif
43975	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071677 via cif-deposit CGI script.	4071677.cif