Crystallography Open Database

Information card for entry 4072304

Preview

Coordinates	4072304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H76.5 N4.5 P Ru
Calculated formula	C55 H76.5 N4.5 P Ru
Title of publication	Indenyl Hemilability: Unveiling a Masked (η5-C5Me5)Ru(κ2-P,Carbene) Zwitterion Via Facile and Reversible Ru−C(sp3) Bond Cleavage
Authors of publication	Rankin, Matthew A.; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	23
Pages of publication	6286
a	10.951 ± 0.0009 Å
b	14.3673 ± 0.0012 Å
c	16.7877 ± 0.0013 Å
α	84.2967 ± 0.0011°
β	77.9902 ± 0.001°
γ	73.5579 ± 0.001°
Cell volume	2475.5 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178612 (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 4/07/23.	4072304.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072304.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072304.cif
44341	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072298, 4072299, 4072300, 4072301, 4072302, 4072303, 4072304 via cif-deposit CGI script.	4072304.cif