Crystallography Open Database

Information card for entry 4108511

Preview

Coordinates	4108511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H31 Cu2 O12
Calculated formula	C52 H30.75 Cu2 O12
Title of publication	Chirality-Controlled and Solvent-Templated Catenation Isomerism in Metal-Organic Frameworks
Authors of publication	Liqing Ma; Wenbin Lin
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	13834 - 13835
a	24.5467 ± 0.0012 Å
b	24.5467 ± 0.0012 Å
c	72.387 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	43616 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1447
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.2125
Weighted residual factors for all reflections included in the refinement	0.2248
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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/4108511.html