Crystallography Open Database

Information card for entry 7714639

Preview

Coordinates	7714639.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	abhijeet
Formula	C58 H56 F7 N2 O3 P5 Ru S
Calculated formula	C58 H56 F7 N2 O3 P5 Ru S
SMILES	[Ru]123([P](c4ccccc4)(c4ccccc4)CC[P]1(c1ccccc1)c1ccccc1)([P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Oc1nc(c(F)c[n]31)O.[P](F)(F)(F)(F)(F)[F-].S(=O)(C)C
Title of publication	Hyphenation of lipophilic ruthenium(II)-diphosphine core with 5-fluorouracil: an effective metallodrug against glioblastoma brain cancer cells.
Authors of publication	Saha, Abhijit; Mondal, Indranil; Kumari, Anuj; Sonkar, Avinash Kumar; Mishra, Ramranjan; Kulshreshtha, Ritu; Patra, Ashis K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1551 - 1567
a	14.5354 ± 0.0004 Å
b	20.8155 ± 0.0006 Å
c	17.9751 ± 0.0005 Å
α	90°
β	93.641 ± 0.001°
γ	90°
Cell volume	5427.6 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.074
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1537
Weighted residual factors for all reflections included in the refinement	0.1691
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
289494 (current)	2024-02-04	cif/ Updating files of 7714639 Original log message: Adding full bibliography for 7714639.cif.	7714639.cif
288169	2023-12-08	cif/ Adding structures of 7714639 via cif-deposit CGI script.	7714639.cif