Crystallography Open Database

Information card for entry 4082393

Preview

Coordinates	4082393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 N3 O2 Ru S2
Calculated formula	C23 H17 N3 O2 Ru S2
Title of publication	Deprotonation-Induced Structural Changes in SNS-Pincer Ruthenium Complexes with Secondary Thioamide Groups
Authors of publication	Komiyama, Yoko; Kuwabara, Junpei; Kanbara, Takaki
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	4
Pages of publication	885
a	7.0547 ± 0.0005 Å
b	10.1851 ± 0.0007 Å
c	15.363 ± 0.001 Å
α	93.368 ± 0.001°
β	96.985 ± 0.001°
γ	99.836 ± 0.001°
Cell volume	1076 ± 0.13 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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 significantly intense reflections	0.0163
Weighted residual factors for all reflections included in the refinement	0.0415
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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