Crystallography Open Database

Information card for entry 4316744

Preview

Coordinates	4316744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H16 Cu O5
Calculated formula	C30.5 H16 Cu O5
Title of publication	Three-Dimensional Metal-Organic Frameworks Based on Tetrahedral and Square-Planar Building Blocks: Hydrogen Sorption and Dye Uptake Studies
Authors of publication	Demin Liu; Zhigang Xie; Liqing Ma; Wenbin Lin
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9107 - 9109
a	26.537 ± 0.009 Å
b	29.791 ± 0.01 Å
c	45.448 ± 0.015 Å
α	90°
β	95.146 ± 0.006°
γ	90°
Cell volume	35785 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1585
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.1694
Weighted residual factors for all reflections included in the refinement	0.1831
Goodness-of-fit parameter for all reflections included in the refinement	0.908
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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/4316744.html