Crystallography Open Database

Information card for entry 7712023

7712022 << 7712023 >> 7712024

Preview

Coordinates	7712023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H30 F12 N8 P2 Ru
Calculated formula	C29 H30 F12 N8 P2 Ru
SMILES	[P](F)(F)(F)(F)(F)[F-].[Ru]1([N]#CC)([N]#CC)([N]#CC)([n]2c(N3C=1N(Cc1ccccc1)c1c3cccc1)cccc2)[N]#CC.[P](F)(F)(F)(F)(F)[F-].CC#N
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	10.494 ± 0.007 Å
b	15.943 ± 0.01 Å
c	22.151 ± 0.015 Å
α	90°
β	92.845 ± 0.012°
γ	90°
Cell volume	3701 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0758
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1615
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	7712023.cif
280047	2022-12-27	cif/ Adding structures of 7712023, 7712024, 7712025, 7712026 via cif-deposit CGI script.	7712023.cif