Crystallography Open Database

Information card for entry 7039487

Preview

Coordinates	7039487.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	czq2
Chemical name	Ru(C10H8N2)2Cl2(CF3SO3)
Formula	C23 H19 Cl2 F3 N5 O3 Ru S
Calculated formula	C23 H19 Cl2 F3 N5 O3 Ru S
SMILES	[Ru]12(Cl)(Cl)([n]3c(c4[n]1cccc4)cccc3)[n]1c(c3[n]2cccc3)cccc1.S(=O)(=O)(C(F)(F)F)[O-].N#CC
Title of publication	Synergistic oxygen atom transfer by ruthenium complexes with non-redox metal ions.
Authors of publication	Lv, Zhanao; Zheng, Wenrui; Chen, Zhuqi; Tang, Zhiming; Mo, Wanling; Yin, Guochuan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	28
Pages of publication	11369 - 11383
a	15.095 ± 0.0006 Å
b	14.0023 ± 0.0006 Å
c	12.335 ± 0.0005 Å
α	90°
β	108.689 ± 0.001°
γ	90°
Cell volume	2469.71 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0231
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.0548
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
185502 (current)	2016-08-07	cif/ Updating files of 7039487 Original log message: Adding full bibliography for 7039487.cif.	7039487.cif
183391	2016-06-11	cif/ Adding structures of 7039487 via cif-deposit CGI script.	7039487.cif