Crystallography Open Database

Information card for entry 4339840

Preview

Coordinates	4339840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H20 N2 O14 P4 Zn2
Calculated formula	C6 H20 N2 O14 P4 Zn2
Title of publication	Highly selective ferric ion sorption and exchange by crystalline metal phosphonates constructed from tetraphosphonic acids.
Authors of publication	Wu, Jie; Hou, Hongwei; Han, Huayun; Fan, Yaoting
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7960 - 7970
a	8.2607 ± 0.0005 Å
b	13.0802 ± 0.0008 Å
c	16.9503 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1831.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179501 (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 4/33/98.	4339840.cif
117569	2014-06-15	cif/ Adding structures of 4339839, 4339840 via cif-deposit CGI script.	4339840.cif