Crystallography Open Database

Information card for entry 4072287

Preview

Coordinates	4072287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H38 Cl3 N3 Ru
Calculated formula	C27.5 H38 Cl3 N3 Ru
Title of publication	Unsymmetrical Bis(iminoethyl)pyridine Metal Complexes with a Pendant Alkenyl Substituent. Part B: Internal Olefin Coordination to Ruthenium†
Authors of publication	Wallenhorst, Carolin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	24
Pages of publication	6557
a	25.8516 ± 0.0005 Å
b	10.8712 ± 0.0002 Å
c	20.0594 ± 0.0003 Å
α	90°
β	94.351 ± 0.001°
γ	90°
Cell volume	5621.2 ± 0.17 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	5
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	0.0565
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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.	4072287.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072287.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072287.cif
44330	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072287 via cif-deposit CGI script.	4072287.cif