Crystallography Open Database

Information card for entry 7233063

Preview

Coordinates	7233063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 Br2 N4 O6 Zn
Calculated formula	C38 H36 Br2 N4 O6 Zn
Title of publication	A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification
Authors of publication	Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	33
Pages of publication	4925
a	9.1737 ± 0.0006 Å
b	14.969 ± 0.0014 Å
c	15.421 ± 0.002 Å
α	116.717 ± 0.011°
β	98.405 ± 0.008°
γ	89.487 ± 0.007°
Cell volume	1867.4 ± 0.4 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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	0.0611
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7233063.html