Crystallography Open Database

Information card for entry 7240395

Preview

Coordinates	7240395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H23 B9 N2 O Ru
Calculated formula	C15 H23 B9 N2 O Ru
SMILES	[Ru]12345([n]6ccc(cc6c6[n]1ccc(c6)C)C)([CH]167[CH]892[BH]2%107[BH]7%116[BH]631[BH]135[BH]548[BH]49%10[BH]82%11[BH]761[BH]3548)C#[O]
Title of publication	Ruthenium carboranyl complexes with 2,2′-bipyridine derivatives for potential bimodal therapy application
Authors of publication	Teixeira, Ricardo G.; Marques, Fernanda; Robalo, M. Paula; Fontrodona, Xavier; Garcia, M. Helena; Geninatti Crich, Simonetta; Viñas, Clara; Valente, Andreia
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	28
Pages of publication	16266 - 16276
a	12.589 ± 0.002 Å
b	11.463 ± 0.002 Å
c	14.575 ± 0.002 Å
α	90°
β	111.301 ± 0.002°
γ	90°
Cell volume	1959.6 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
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	0.0389
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0802
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
257960 (current)	2020-10-06	cif/ Updating files of 7240394, 7240395 Original log message: Adding full bibliography for 7240394--7240395.cif.	7240395.cif
251125	2020-04-24	cif/ Adding structures of 7240394, 7240395 via cif-deposit CGI script.	7240395.cif