Crystallography Open Database

Information card for entry 8101824

Preview

Coordinates	8101824.cif

Structure parameters

Chemical name	1,2-ethylenediaminedizinc diphosphonate
Formula	C8 H40 N8 O24 P8 Zn8
Calculated formula	C2 H10 N2 O6 P2 Zn2
Title of publication	Crystal structure of 1,2-ethylenediamine-dizinc diphosphate(III), Zn~2~(C~2~H~8~N~2~)(HPO~3~)~2~
Authors of publication	S. Natarajan; Yu. Prots; R. Niewa; R. Kniep
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2005
Journal volume	220
Journal issue	3
Pages of publication	455 - 456
a	7.8357 ± 0.0008 Å
b	8.2543 ± 0.0008 Å
c	14.7908 ± 0.0015 Å
α	90°
β	95.76 ± 0.01°
γ	90°
Cell volume	951.81 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	295.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (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 8.	8101824.cif
107931	2014-03-24	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101824.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101824.cif
12563	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8101824 via cif-deposit CGI script.	8101824.cif