Crystallography Open Database

Information card for entry 7711693

Preview

Coordinates	7711693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H44 F12 N8 O P2 Ru
Calculated formula	C50 H44 F12 N8 O P2 Ru
SMILES	[Ru]123([n]4c(cc(cc4)C)c4[n]2ccc(c4)C)([n]2c4c5[n]1cccc5c1nc([nH]c1c4ccc2)c1ccc(c2ccccc2)cc1)[n]1c(c2[n]3ccc(c2)C)cc(cc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC
Title of publication	The synthesis and antibacterial activity study of ruthenium-based metallodrugs with a membrane-disruptive mechanism against <i>Staphylococcus aureus</i>.
Authors of publication	Chen, Yushou; Liu, Lianghong; Wang, Xuerong; Liao, Zhouyuji; Wang, Runbin; Xiong, Yanshi; Cheng, Jianxin; Jiang, Guijuan; Wang, Jintao; Liao, Xiangwen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	39
Pages of publication	14980 - 14992
a	11.2796 ± 0.0014 Å
b	23.099 ± 0.003 Å
c	18.796 ± 0.003 Å
α	90°
β	95.087 ± 0.004°
γ	90°
Cell volume	4878 ± 1.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1175
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.1933
Weighted residual factors for all reflections included in the refinement	0.229
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
278952 (current)	2022-11-05	cif/ Adding structures of 7711693 via cif-deposit CGI script.	7711693.cif