Crystallography Open Database

Information card for entry 7710748

Preview

Coordinates	7710748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H48 Cu3 N12 O12
Calculated formula	C66 H48 Cu3 N12 O12
Title of publication	Rotation Configuration Control of the sp2 Bond in Diimidazole−dicarboxylate Linker for Isomerism of Porous Coordination Polymers
Authors of publication	Duan, Jingui; Dong, Qiubing; Ge, Kai; Zhang, Mingxing; Wang, Huijie
Journal of publication	Dalton Transactions
Year of publication	2022
a	19.0772 ± 0.0006 Å
b	32.4115 ± 0.001 Å
c	19.4415 ± 0.0015 Å
α	90°
β	100.577 ± 0.004°
γ	90°
Cell volume	11816.8 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.2026
Weighted residual factors for all reflections included in the refinement	0.2124
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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/7710748.html