Crystallography Open Database

Information card for entry 7126780

Preview

Coordinates	7126780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H48 F12 Mn N8 O4 P2
Calculated formula	C50 H48 F12 Mn N8 O4 P2
Title of publication	A mitochondrion-targeting Mn(ii)-terpyridine complex for two-photon photodynamic therapy.
Authors of publication	Yang, Xinda; Zhang, Duoteng; Li, Jie; Ji, Wenhui; Yang, Naidi; Gu, Shunxin; Wu, Qiong; Jiang, Qin; Shi, Pengfei; Li, Lin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	63
Pages of publication	9032 - 9035
a	8.585 ± 0.0011 Å
b	15.909 ± 0.0018 Å
c	37.26 ± 0.004 Å
α	97.656 ± 0.003°
β	91.686 ± 0.001°
γ	95.702 ± 0.002°
Cell volume	5013.9 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3198
Residual factor for significantly intense reflections	0.1639
Weighted residual factors for significantly intense reflections	0.3622
Weighted residual factors for all reflections included in the refinement	0.4189
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
255953 (current)	2020-09-06	cif/ Updating files of 7126780 Original log message: Adding full bibliography for 7126780.cif.	7126780.cif
253503	2020-06-27	cif/ Adding structures of 7126780 via cif-deposit CGI script.	7126780.cif