Crystallography Open Database

Information card for entry 4075749

Preview

Coordinates	4075749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H47 N3 Ru2
Calculated formula	C35 H47 N3 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#[N]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	12.555 ± 0.002 Å
b	16.084 ± 0.004 Å
c	16.663 ± 0.002 Å
α	90°
β	97.554 ± 0.007°
γ	90°
Cell volume	3335.6 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1978
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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.	4075749.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075749.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.	4075749.cif