Crystallography Open Database

Information card for entry 4120830

4120829 << 4120830 >> 4120831

Preview

Coordinates	4120830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H42 Br6 Cr3 N6 O42 Zn6
Calculated formula	C85.98 H42 Br6 Cr3 N6 O42 Zn6
Title of publication	A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets
Authors of publication	Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	14016 - 14019
a	19.2095 ± 0.0005 Å
b	19.2095 ± 0.0005 Å
c	36.0245 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	11512.3 ± 0.5 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	7
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0571
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1493
Weighted residual factors for all reflections included in the refinement	0.1591
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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/4120830.html