Crystallography Open Database

Information card for entry 4514556

Preview

Coordinates	4514556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H35 Br F6 N4 O4 P Re
Calculated formula	C35 H35 Br F6 N4 O4 P Re
Title of publication	Versatile Strategy To Generate a Rhodamine Triplet State as Mitochondria-Targeting Visible-Light Photosensitizers for Efficient Photodynamic Therapy.
Authors of publication	Liu, Chuangjun; Zhou, Lihua; Wei, Fangfang; Li, Ling; Zhao, Shunan; Gong, Ping; Cai, Lintao; Wong, Keith Man-Chung
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	9
Pages of publication	8797 - 8806
a	16.661 ± 0.003 Å
b	13.734 ± 0.002 Å
c	16.996 ± 0.003 Å
α	90°
β	90.046 ± 0.005°
γ	90°
Cell volume	3889.1 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1665
Residual factor for significantly intense reflections	0.1221
Weighted residual factors for significantly intense reflections	0.2666
Weighted residual factors for all reflections included in the refinement	0.2911
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
219741 (current)	2019-10-28	cif/ Adding structures of 4514556 via cif-deposit CGI script.	4514556.cif