Crystallography Open Database

Information card for entry 4071676

Preview

Coordinates	4071676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68.5 H20 Cr N O2 S3
Calculated formula	C68.5 H20 Cr N O2 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	10.006 Å
b	11.455 Å
c	19.938 Å
α	80.38°
β	75.29°
γ	66.89°
Cell volume	2027.14 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.1048
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.2253
Weighted residual factors for all reflections included in the refinement	0.2554
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4071676.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071676.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071676.cif
43974	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071676 via cif-deposit CGI script.	4071676.cif