Crystallography Open Database

Information card for entry 7111894

Preview

Coordinates	7111894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H9 O22 Zn5
Calculated formula	C27 H9 O22 Zn5
Title of publication	Unusual pore structure and sorption behaviour in a hexanodal zinc-organic framework material
Authors of publication	Jinjie Qian; Feilong Jiang; Linjie Zhang; Kongzhao Su; Jie Pan; Qipeng Li; Daqiang Yuan; Maochun Hong
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1678
a	19.7757 ± 0.0002 Å
b	44.7064 ± 0.0005 Å
c	28.6303 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	25312.1 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	72
Hermann-Mauguin space group symbol	I b a m
Hall space group symbol	-I 2 2c
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.2496
Weighted residual factors for all reflections included in the refinement	0.2709
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180232 (current)	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 7/11/18.	7111894.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7111894.cif
102842	2014-02-24	cif/ Adding structures of 7111894 via cif-deposit CGI script.	7111894.cif