Crystallography Open Database

Information card for entry 4108131

Preview

Coordinates	4108131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H116 Cl29 N20 O16 Ru9
Calculated formula	C100 H116 Cl29 N20 O16 Ru9
Title of publication	Extended Metal-Atom Chains with an Inert Second Row Transition Metal: [Ru5(μ5-tpda)4X2] (tpda2-= tripyridyldiamido dianion, X = Cl and NCS)
Authors of publication	Caixia Yin; Gin-Chen Huang; Ching-Kuo Kuo; Ming-Dung Fu; Hao-Cheng Lu; Jhih-Hong Ke; Kai-Neng Shih; Yi-Lin Huang; Gene-Hsiang Lee; Chen-Yu Yeh; Chun-hsien Chen; Shie-Ming Peng
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	10090 - 10092
a	21.6686 ± 0.0007 Å
b	27.6614 ± 0.0012 Å
c	11.7069 ± 0.0003 Å
α	90°
β	91.697 ± 0.002°
γ	90°
Cell volume	7013.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1676
Weighted residual factors for all reflections included in the refinement	0.1931
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
178827 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/81.	4108131.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108131.cif
56467	2012-05-11	cif/ Adding structures of 4108131 via cif-deposit CGI script.	4108131.cif