Crystallography Open Database

Information card for entry 7228367

Preview

Coordinates	7228367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H92 B2 Cl4 Cu8 F8 K2 N32 S8
Calculated formula	C106 H92 B2 Cl4 Cu8 F8 K2 N32 S8
Title of publication	A Structural Study of Dithizone Coordination Chemistry
Authors of publication	Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan
Journal of publication	CrystEngComm
Year of publication	2017
a	31.5024 ± 0.0016 Å
b	15.5709 ± 0.0008 Å
c	28.1201 ± 0.0016 Å
α	90°
β	114.798 ± 0.002°
γ	90°
Cell volume	12521.6 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1723
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.2146
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7228367.html