Crystallography Open Database

Information card for entry 7041124

Preview

Coordinates	7041124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H29 Cl2 N3 O2 Ru S
Calculated formula	C21 H29 Cl2 N3 O2 Ru S
SMILES	[Ru]123456(Cl)([S]=C(N[N]1=Cc1ccccc1OC)NCC)[cH]1[c]6([cH]5[cH]4[c]3([cH]21)C(C)C)C.[Cl-].O
Title of publication	New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.
Authors of publication	Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	48
Pages of publication	19329 - 19340
a	9.153 ± 0.003 Å
b	10.916 ± 0.003 Å
c	13.509 ± 0.004 Å
α	93.863 ± 0.004°
β	92.27 ± 0.004°
γ	113.587 ± 0.004°
Cell volume	1230.9 ± 0.6 Å³
Cell temperature	296.13 K
Ambient diffraction temperature	296.15 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	0.0275
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.0357
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
190125 (current)	2017-01-09	cif/ Updating files of 7041117, 7041118, 7041119, 7041120, 7041121, 7041122, 7041123, 7041124, 7041125, 7041126 Original log message: Adding full bibliography for 7041117--7041126.cif.	7041124.cif
188027	2016-11-08	cif/ Adding structures of 7041117, 7041118, 7041119, 7041120, 7041121, 7041122, 7041123, 7041124, 7041125, 7041126 via cif-deposit CGI script.	7041124.cif