Crystallography Open Database

Information card for entry 4080177

Preview

Coordinates	4080177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H97 B2 N8 O2 Os2 S2
Calculated formula	C99.6 H97 B2 N8 O2 Os2 S2
Title of publication	Substituent-Induced Reactivity in Quinonoid-Bridged Dinuclear Complexes: Comparison between the Ruthenium and Osmium Systems
Authors of publication	Sommer, Michael G.; Schweinfurth, David; Weisser, Fritz; Hohloch, Stephan; Sarkar, Biprajit
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	7
Pages of publication	2069
a	11.6977 ± 0.0011 Å
b	13.3739 ± 0.0013 Å
c	15.0525 ± 0.0014 Å
α	112.893 ± 0.005°
β	93.633 ± 0.005°
γ	96.203 ± 0.005°
Cell volume	2142.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.18
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
178690 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/01.	4080177.cif
85867	2013-05-07	cif/ Adding structures of 4080177 via cif-deposit CGI script.	4080177.cif