Crystallography Open Database

Information card for entry 1556347

Preview

Coordinates	1556347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 Cu6 O42 P3
Calculated formula	C144 Cu6 O42 P3
Title of publication	Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst
Authors of publication	Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	8
Pages of publication	2623
a	17.5328 ± 0.0003 Å
b	30.3514 ± 0.0005 Å
c	49.1818 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	26171.9 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	21
Hermann-Mauguin space group symbol	C 2 2 2
Hall space group symbol	C 2 2
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1796
Weighted residual factors for all reflections included in the refinement	0.1907
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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/1556347.html