Crystallography Open Database

Information card for entry 4109925

Preview

Coordinates	4109925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H74 N30 Nd2 O28 Ru3
Calculated formula	C48 H38 N30 Nd2 O28 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	33.916 ± 0.007 Å
b	13.304 ± 0.003 Å
c	19.723 ± 0.004 Å
α	90°
β	124.7 ± 0.03°
γ	90°
Cell volume	7317 ± 4 Å³
Cell temperature	150 ± 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	0.0973
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	4109925.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109925.cif
58704	2012-05-30	cif/ Adding structures of 4109925 via cif-deposit CGI script.	4109925.cif