Crystallography Open Database

Information card for entry 1576049

Preview

Coordinates	1576049.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Rh(dtbq)2Me2-bpy](PF6)
Formula	C109 H76 Cl10 F12 N12 P2 Rh2 S8
Calculated formula	C109 H76 Cl10 F12 N12 P2 Rh2 S8
Title of publication	Rhodamine-functionalised rhodium(iii) complexes: dual role as bioimaging agents and controllable reactive oxygen species photosensitisers for photocytotoxicity applications
Authors of publication	Jiang, Katherine Gui-Min; Wei, Fangfang; Leung, Peter Kam-Keung; Wu, Siye; Lo, Kenneth Kam-Wing; Wong, Keith Man-Chung
Journal of publication	Chemical Science
Year of publication	2025
a	12.9995 ± 0.0005 Å
b	13.8501 ± 0.0005 Å
c	16.0709 ± 0.0006 Å
α	82.958 ± 0.002°
β	86.247 ± 0.003°
γ	74.635 ± 0.002°
Cell volume	2767.36 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.17 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
302981 (current)	2025-10-24	cif/ Adding structures of 1576047, 1576048, 1576049, 1576050 via cif-deposit CGI script.	1576049.cif