Crystallography Open Database

Information card for entry 1508392

Preview

Coordinates	1508392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H19 N2 O13 P3 Zn3
Calculated formula	C5 H17 N2 O13 P3 Zn3
Title of publication	1,5-Diaminopentane As A Structure-Directing Agent for Zincophosphate Networks: Zn3(PO4)2(C5H14N2)2·3H2O and C5H16N2·Zn3(PO4)2(HPO4)·H2O
Authors of publication	Harrison, William T.A.; Currie, William R.
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	3
Pages of publication	974 - 983
a	11.3275 ± 0.0015 Å
b	8.3235 ± 0.0011 Å
c	18.588 ± 0.002 Å
α	90°
β	96.979 ± 0.003°
γ	90°
Cell volume	1739.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1047
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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.	1508392.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508392.cif
68964	2012-11-27	cif/ Adding structures of 1508392 via cif-deposit CGI script.	1508392.cif