Crystallography Open Database

Information card for entry 4109926

Preview

Coordinates	4109926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H37 N14 O27.5 Ru Yb2
Calculated formula	C16 H24 N14 O27.5 Ru Yb2
Title of publication	Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene
Authors of publication	Juan-Manuel Herrera; Simon J. A. Pope; Anthony J. H. M. Meijer; Timothy L. Easun; Harry Adams; Wassim Z. Alsindi; Xue-Zhong Sun; Michael W. George; Stephen Faulkner; Michael D. Ward
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	11491 - 11504
a	10.68 ± 0.002 Å
b	14.001 ± 0.003 Å
c	14.272 ± 0.003 Å
α	76.75 ± 0.03°
β	79.5 ± 0.03°
γ	76.25 ± 0.03°
Cell volume	1999.3 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
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.	4109926.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109926.cif
58705	2012-05-30	cif/ Adding structures of 4109926 via cif-deposit CGI script.	4109926.cif