Crystallography Open Database

Information card for entry 4115246

Preview

Coordinates	4115246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H61 F9 N6 O22 P4 Ru2 S5
Calculated formula	C33.04 H37 F9 N6 O22 P4 Ru2 S5
Title of publication	Dehydration Reaction of Hydroxyl Substituted Alkenes and Alkynes on the Ru2S2 Complex
Authors of publication	Kazuko Matsumoto; Yoshihiro Moriya; Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	13106 - 13113
a	12.5969 ± 0.0011 Å
b	13.7742 ± 0.0012 Å
c	18.7252 ± 0.0017 Å
α	90.962 ± 0.002°
β	90.459 ± 0.002°
γ	107.41 ± 0.002°
Cell volume	3099.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0991
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.2122
Weighted residual factors for all reflections included in the refinement	0.2226
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
178923 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/52.	4115246.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115246.cif
68699	2012-11-20	cif/ Adding structures of 4115246 via cif-deposit CGI script.	4115246.cif