Crystallography Open Database

Information card for entry 4075745

Preview

Coordinates	4075745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 N2 Ru2
Calculated formula	C30 H38 N2 Ru2
SMILES	[Ru]12345(Nc6c(N1)c[c]17[Ru]89%10%11%12%13%14%15([cH]1[cH]8[cH]9[cH]%10[c]7%11c6)[c]1([c]%12([c]%13([c]%14([c]%151C)C)C)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment
Authors of publication	Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	5
Pages of publication	801
a	9.7682 ± 0.0008 Å
b	11.4013 ± 0.0007 Å
c	12.4389 ± 0.0012 Å
α	76.597 ± 0.005°
β	86.581 ± 0.003°
γ	85.825 ± 0.003°
Cell volume	1342.71 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178646 (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 4/07/57.	4075745.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075745.cif
50646	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075745, 4075746, 4075747, 4075748, 4075749, 4075750, 4075751 via cif-deposit CGI script.	4075745.cif