Crystallography Open Database

Information card for entry 7113571

Preview

Coordinates	7113571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H7 N2 O3 P Zn
Calculated formula	C5 H7 N2 O3 P Zn
Title of publication	Synthesis and structure of a new layered zinc phosphite (C5H6N2)Zn(HPO3) containing helical chains
Authors of publication	Liang, Jing; Wang, Yu; Yu, Jihong; Li, Yi; Xu, Ruren
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	7
Pages of publication	882 - 883
a	11.3477 ± 0.0004 Å
b	7.1079 ± 0.0003 Å
c	10.4259 ± 0.0004 Å
α	90°
β	111.585 ± 0.002°
γ	90°
Cell volume	781.96 ± 0.05 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	0.0367
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	0.686
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104039
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210700 (current)	2018-09-10	cif/7/ Updating bibliography in entries 7104039, 7113571. Marking entry 7113571 as a duplicate of entry 7104039.	7113571.cif
180249	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35.	7113571.cif
115135	2014-06-02	cif/ Adding structures of 7113571 via cif-deposit CGI script.	7113571.cif