Crystallography Open Database

Information card for entry 7712025

7712024 << 7712025 >> 7712026

Preview

Coordinates	7712025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H37 F12 N7 P2 Ru
Calculated formula	C39 H37 F12 N7 P2 Ru
SMILES	[Ru]12([N]#CC)([n]3c(N4C=2N(c2ccccc42)Cc2ccccc2)cccc3)([n]2c3c4[n]1cc(c(c4ccc3c(c(c2)C)C)C)C)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Cyclometalated Ru(II)-NHC complexes with phenanthroline ligands induce apoptosis mediated by mitochondria and endoplasmic reticulum stress in cancer cells.
Authors of publication	Chen, Chao; Lv, He; Xu, Hao; Zhu, Dancheng; Shen, Chao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	6
Pages of publication	1671 - 1679
a	11.7572 ± 0.0016 Å
b	13.3532 ± 0.0018 Å
c	15.822 ± 0.002 Å
α	88.786 ± 0.002°
β	70.759 ± 0.002°
γ	84.588 ± 0.002°
Cell volume	2334.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1448
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
283306 (current)	2023-05-05	cif/ Updating files of 7712023, 7712024, 7712025, 7712026 Original log message: Adding full bibliography for 7712023--7712026.cif.	7712025.cif
280047	2022-12-27	cif/ Adding structures of 7712023, 7712024, 7712025, 7712026 via cif-deposit CGI script.	7712025.cif