Crystallography Open Database

Information card for entry 4108885

Preview

Coordinates	4108885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 N4 O12 Ru2
Calculated formula	C36 H44 N4 O12 Ru2
Title of publication	Intramolecular Valence and Spin Interaction in meso and rac Diastereomers of a p-Quinonoid-Bridged Diruthenium Complex
Authors of publication	Doyel Kumbhakar; Biprajit Sarkar; Somnath Maji; Shaikh M. Mobin; Jan Fiedler; Francisco A. Urbanos; Reyes Jiménez-Aparicio; Wolfgang Kaim; Goutam Kumar Lahiri
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	17575 - 17583
a	25.485 ± 0.004 Å
b	25.485 ± 0.004 Å
c	24.7823 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	16096 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.1871
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	0.805
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
178834 (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 4/10/88.	4108885.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108885.cif
57311	2012-05-18	cif/ Adding structures of 4108885 via cif-deposit CGI script.	4108885.cif