Crystallography Open Database

Information card for entry 1516287

Preview

Coordinates	1516287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 O13 Zn4
Calculated formula	C24 H12 O13 Zn4
Title of publication	Elucidating Negative Thermal Expansion in MOF-5
Authors of publication	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2010
Journal volume	114
Journal issue	39
Pages of publication	16181
a	25.8247 ± 0.0004 Å
b	25.8247 ± 0.0004 Å
c	25.8247 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	17222.9 ± 0.5 Å³
Cell temperature	280 ± 2 K
Ambient diffraction temperature	280 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516287.cif
114490	2014-05-24	cif/ Adding structures of 1516287 via cif-deposit CGI script.	1516287.cif