Crystallography Open Database

Information card for entry 7127107

Preview

Coordinates	7127107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 F N3 Pt S0.5
Calculated formula	C12 H10 F N3 Pt S0.5
Title of publication	Soft salts based on platinum(II) complexes with high emission quantum efficiencies in the near infrared region for <i>in vivo</i> imaging.
Authors of publication	Li, Jun; Ma, Yun; Liu, Suyi; Mao, Zhu; Chi, Zhenguo; Qian, Peng-Cheng; Wong, Wai-Yeung
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	78
Pages of publication	11681 - 11684
a	6.768 ± 0.002 Å
b	13.774 ± 0.004 Å
c	13.88 ± 0.004 Å
α	87.61 ± 0.02°
β	85.88 ± 0.02°
γ	87.59 ± 0.02°
Cell volume	1288.5 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.1909
Weighted residual factors for all reflections included in the refinement	0.1978
Goodness-of-fit parameter for all reflections included in the refinement	1.189
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257229 (current)	2020-10-06	cif/ Updating files of 7127107 Original log message: Adding full bibliography for 7127107.cif.	7127107.cif
255568	2020-08-22	cif/ Adding structures of 7127107 via cif-deposit CGI script.	7127107.cif