Crystallography Open Database

Information card for entry 4079717

Preview

Coordinates	4079717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H70.5 N8 O1.25 Ru2 S12
Calculated formula	C68 H70.5 N8 O1.25 Ru2 S12
Title of publication	New Linear π-Conjugated Diruthenium Compounds Containing Axial Tetrathiafulvalene-acetylide Ligands
Authors of publication	Cai, Xu-Min; Zhang, Xiang-Yi; Savchenko, Julia; Cao, Zhi; Ren, Tong; Zuo, Jing-Lin
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	24
Pages of publication	8591
a	10.74 ± 0.003 Å
b	17.988 ± 0.005 Å
c	18.789 ± 0.006 Å
α	92.293 ± 0.005°
β	92.391 ± 0.006°
γ	90.34 ± 0.005°
Cell volume	3623.7 ± 1.8 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.085
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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