Crystallography Open Database

Information card for entry 4103242

Preview

Coordinates	4103242.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zinc 1,3,5-Benzenetriphosphonate tetrahydrate
Formula	C6 H7 O13 P3 Zn3
Calculated formula	C6 H3 O13 P3 Zn3
Title of publication	Facile Proton Conduction via Ordered Water Molecules in a Phosphonate Metal-Organic Framework
Authors of publication	Jared M. Taylor; Roger K. Mah; Igor L. Moudrakovski; Christopher I. Ratcliffe; Ramanathan Vaidhyanathan; George K. H. Shimizu
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14055 - 14057
a	22.972 ± 0.005 Å
b	8.571 ± 0.0017 Å
c	16.148 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3179.4 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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
178778 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/32.	4103242.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103242.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103242.cif
26201	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103242 via cif-deposit CGI script.	4103242.cif