Crystallography Open Database

Information card for entry 4115420

Preview

Coordinates	4115420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H47 Br N2 Ru2
Calculated formula	C28 H47 Br N2 Ru2
SMILES	[Ru]123456([Ru]789%10%11%12([N]1(=[C]8([N]27C(C)C)C)C(C)C)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)(Br)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
Title of publication	(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(X)(η5-C5Me5): An Unusual Bonding Mode of μ2-Amidinate Ligand Providing the First Unequivocal Evidence for Coordinating Ability of π-Conjugate Electrons of the Amidinate Ligands to Transition Metals
Authors of publication	Hideo Kondo; Yoshitaka Yamaguchi; Hideo Nagashima
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	500 - 501
a	9.7616 ± 0.0002 Å
b	15.8832 ± 0.0004 Å
c	18.6844 ± 0.0003 Å
α	90°
β	96.205 ± 0.001°
γ	90°
Cell volume	2879.96 ± 0.1 Å³
Cell temperature	223.2 K
Ambient diffraction temperature	223.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.7107 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.	4115420.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115420.cif
68935	2012-11-27	cif/ Adding structures of 4115420 via cif-deposit CGI script.	4115420.cif