Crystallography Open Database

Information card for entry 4311331

Preview

Coordinates	4311331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H14 N O6 P Zn2
Calculated formula	C6 H14 N O6 P Zn2
Title of publication	Triethanolamine Zinc Phosphite, (C6H13NO3)Zn2(HPO3): A Templated Network or a Network of Clusters?
Authors of publication	Jillian A. Johnstone; William T. A. Harrison
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4567 - 4569
a	8.4216 ± 0.0004 Å
b	9.9262 ± 0.0005 Å
c	12.8494 ± 0.0006 Å
α	90°
β	91.824 ± 0.001°
γ	90°
Cell volume	1073.59 ± 0.09 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	0.036
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0452
Weighted residual factors for all reflections included in the refinement	0.0475
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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
179152 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/13.	4311331.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311331.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311331.cif
2826	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311331 via cif-deposit CGI script.	4311331.cif