Crystallography Open Database

Information card for entry 1547843

Preview

Coordinates	1547843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 F2 N2 O2
Calculated formula	C26 H22 F2 N2 O2
SMILES	Fc1c(c2cc(/C=C/c3cc4c(oc3=O)cc(N(CC)CC)cc4)ccn2)ccc(F)c1
Title of publication	Achieving efficient photodynamic therapy under both normoxia and hypoxia using cyclometalated Ru(ii) photosensitizer through type I photochemical process.
Authors of publication	Lv, Zhuang; Wei, Huanjie; Li, Qing; Su, Xianlong; Liu, Shujuan; Zhang, Kenneth Yin; Lv, Wen; Zhao, Qiang; Li, Xianghong; Huang, Wei
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	2
Pages of publication	502 - 512
a	8.3521 ± 0.0017 Å
b	12.418 ± 0.002 Å
c	20.681 ± 0.004 Å
α	90°
β	97.923 ± 0.004°
γ	90°
Cell volume	2124.5 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.115
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
228723 (current)	2019-11-17	cif/ Updating files of 1547843 Original log message: Adding full bibliography for 1547843.cif.	1547843.cif
202455	2017-11-01	cif/ Adding structures of 1547843 via cif-deposit CGI script.	1547843.cif