Crystallography Open Database

Information card for entry 4081175

Preview

Coordinates	4081175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H34 Cl2 N4 O11 Ru S3
Calculated formula	C31 H34 Cl2 N4 O11 Ru S3
Title of publication	Isolation of Ruthenium‒Indolizine Complexes: Insight into the Metal-Induced Cycloisomerization of Propargylic Pyridines
Authors of publication	Chung, Lai-Hon; Wong, Chun-Yuen
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	13
Pages of publication	3583
a	25.812 ± 0.001 Å
b	11.3346 ± 0.0004 Å
c	27.0778 ± 0.0012 Å
α	90°
β	111.925 ± 0.005°
γ	90°
Cell volume	7349.1 ± 0.6 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178700 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/11.	4081175.cif
88021	2013-08-27	cif/ Adding structures of 4081175, 4081176, 4081177 via cif-deposit CGI script.	4081175.cif