Crystallography Open Database

Information card for entry 4109927

Preview

Coordinates	4109927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H152 N58 O70 Ru8 Yb6
Calculated formula	C80 H72 N58 O70 Ru8 Yb6
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	11.4801 ± 0.0005 Å
b	15.8855 ± 0.0006 Å
c	22.8864 ± 0.001 Å
α	97.127 ± 0.002°
β	100.46 ± 0.002°
γ	103.133 ± 0.002°
Cell volume	3937 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0776
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.159
Weighted residual factors for all reflections included in the refinement	0.1729
Goodness-of-fit parameter for all reflections included in the refinement	1
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
178845 (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 4/10/99.	4109927.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109927.cif
58706	2012-05-30	cif/ Adding structures of 4109927 via cif-deposit CGI script.	4109927.cif