Crystallography Open Database

Information card for entry 7127152

Preview

Coordinates	7127152.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Zn(hfac)2(aH-PyBTM)2
Formula	C46 H16 Cl16 F12 N2 O4 Zn
Calculated formula	C46 H16 Cl16 F12 N2 O4 Zn
Title of publication	Excimer emission and magnetoluminescence of radical-based zinc(II) complexes doped in host crystals.
Authors of publication	Kimura, Shun; Kimura, Shojiro; Nishihara, Hiroshi; Kusamoto, Tetsuro
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	76
Pages of publication	11195 - 11198
a	8.9829 ± 0.0006 Å
b	15.1174 ± 0.0008 Å
c	20.8813 ± 0.0007 Å
α	97.411 ± 0.004°
β	94.728 ± 0.004°
γ	90.909 ± 0.005°
Cell volume	2801.4 ± 0.3 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.1285
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.2202
Weighted residual factors for all reflections included in the refinement	0.2601
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation probe	x-ray
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
257246 (current)	2020-10-06	cif/ Updating files of 7127152 Original log message: Adding full bibliography for 7127152.cif.	7127152.cif
255787	2020-09-02	cif/ Adding structures of 7127152 via cif-deposit CGI script.	7127152.cif