Crystallography Open Database

Information card for entry 4068456

Preview

Structure parameters

Formula	C56 H49 N O6 P2 Ru
Calculated formula	C56 H49 N O6 P2 Ru
Title of publication	Stable Cationic and Neutral Ruthenabenzenes
Authors of publication	Clark, George R.; O’Neale, Tamsin R.; Roper, Warren R.; Tonei, Deborah M.; Wright, L. James
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	2
Pages of publication	567
a	11.132 Å
b	11.238 ± 0.0001 Å
c	21.6086 ± 0.0002 Å
α	89.221 ± 0.001°
β	88.838 ± 0.001°
γ	60.355 ± 0.001°
Cell volume	2348.92 ± 0.04 Å³
Cell temperature	87 ± 2 K
Ambient diffraction temperature	87 ± 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	0.0886
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4068456.cif
178574	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/84.	4068456.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068456.cif
39774	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068454, 4068455, 4068456 via cif-deposit CGI script.	4068456.cif