Crystallography Open Database

Information card for entry 4334429

Preview

Coordinates	4334429.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zinc nitroterephthalate
Chemical name	Zinc nitroterephthalate
Formula	C12 H24 N6 O12 Zn2
Calculated formula	C10 N O8 Zn1.75
Title of publication	Zn7O2(RCOO)10 Clusters and Nitro Aromatic Linkers in a Porous Metal-Organic Framework
Authors of publication	Simon S. Iremonger; Ramanathan Vaidhyanathan; Roger K. Mah; George K. H. Shimizu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4124 - 4126
a	18.3609 ± 0.0008 Å
b	18.232 ± 0.0009 Å
c	14.1621 ± 0.0007 Å
α	90°
β	96.973 ± 0.004°
γ	90°
Cell volume	4705.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.16
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179447 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/44.	4334429.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4334429.cif
100256	2014-02-04	cif/ Adding structures of 4334429 via cif-deposit CGI script.	4334429.cif