Crystallography Open Database

Information card for entry 4109924

Preview

Coordinates	4109924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H70 Gd2 N30 O26 Ru3
Calculated formula	C48 H38 Gd2 N30 O26 Ru3
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	33.778 ± 0.014 Å
b	13.233 ± 0.006 Å
c	19.647 ± 0.008 Å
α	90°
β	124.616 ± 0.006°
γ	90°
Cell volume	7227 ± 5 Å³
Cell temperature	423 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4109924.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109924.cif
58703	2012-05-30	cif/ Adding structures of 4109924 via cif-deposit CGI script.	4109924.cif