Crystallography Open Database

Information card for entry 4079969

Preview

Coordinates	4079969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H91 Cl4 Co2 N2 O18 P6 Rh Ru2
Calculated formula	C52 H67.5 Cl4 Co2 N2 O18 P6 Rh Ru2
Title of publication	Reactions of a Ruthenium(VI) Nitride with Rhodium(III) and Iridium(III) Aryl Complexes. Insertion of the Ru≡N Group into the Rh‒C Bonds of Trimesitylrhodium(III)
Authors of publication	Kwan Huang, Enrique; Cheung, Wai-Man; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	3
Pages of publication	733
a	17.5561 ± 0.0001 Å
b	28.53 ± 0.0002 Å
c	28.6778 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	14364 ± 0.16 Å³
Cell temperature	173 ± 0.14 K
Ambient diffraction temperature	173 ± 0.14 K
Number of distinct elements	9
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178688 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/99.	4079969.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079969.cif
74114	2013-02-21	cif/ Adding structures of 4079969, 4079970 via cif-deposit CGI script.	4079969.cif