Crystallography Open Database

Information card for entry 7112112

Preview

Coordinates	7112112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H30 N4 O17 Zn4
Calculated formula	C54 H30 N4 O17 Zn4
Title of publication	A new metal-organic framework with ultra-high surface area
Authors of publication	Ronny Grunker; Volodymyr Bon; Philipp Muller; Ulrich Stoeck; Simon Krause; Uwe Mueller; Irena Senkovska; Stefan Kaskel
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3450
a	50.71 ± 0.007 Å
b	50.71 ± 0.007 Å
c	62.92 ± 0.013 Å
α	90°
β	90°
γ	120°
Cell volume	140122 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.124
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1805
Weighted residual factors for all reflections included in the refinement	0.1994
Goodness-of-fit parameter for all reflections included in the refinement	0.738
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.88561 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
255443 (current)	2020-08-19	cif/7/11/21/ Removing mistyped data item '_jornal_paper_doi' with an incorrect value from entry 7112112.	7112112.cif
180235	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21.	7112112.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112112.cif
105895	2014-03-14	cif/ Adding structures of 7112112 via cif-deposit CGI script.	7112112.cif