Crystallography Open Database

Information card for entry 7712003

7712002 << 7712003 >> 7712004

Preview

Coordinates	7712003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 Cl2 F6 N P Ru
Calculated formula	C24 H30 Cl2 F6 N P Ru
SMILES	[Ru]123456789([c]%10%11cc(c(n[c]5%11[cH]4[c]3([cH]2[c]1%10C)C)C)C1CCCCC1)[cH]1[cH]9[cH]8[cH]7[cH]61.[P](F)(F)(F)(F)(F)[F-].ClCCl
Title of publication	Synthesis, structure, properties, and cytotoxicity of a (quinoline)RuCp<sup>+</sup> complex.
Authors of publication	Hou, Zhilin; Vanecek, Allison S.; Tepe, Jetze J.; Odom, Aaron L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	721 - 730
a	7.5401 ± 0.0001 Å
b	14.8916 ± 0.0003 Å
c	23.1878 ± 0.0004 Å
α	90°
β	94.963 ± 0.002°
γ	90°
Cell volume	2593.86 ± 0.08 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation probe	x-ray
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
283338 (current)	2023-05-05	cif/ Updating files of 7712003 Original log message: Adding full bibliography for 7712003.cif.	7712003.cif
280024	2022-12-24	cif/ Adding structures of 7712003 via cif-deposit CGI script.	7712003.cif