Crystallography Open Database

Information card for entry 4308329

Preview

Structure parameters

Common name	NH4-H2PO2
Formula	H6 N O2 P
Calculated formula	H6 N O2 P
SMILES	[NH4+].[PH2](=O)[O-]
Title of publication	Structural Reinvestigation of Ammonium Hypophosphite: Was Dihydrogen Bonding Observed Long Ago?
Authors of publication	Simona Marincean; Radu Custelcean; Robin S. Stein; James E. Jackson
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	45 - 48
a	11.5192 ± 0.0018 Å
b	7.4977 ± 0.0012 Å
c	3.9607 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	342.08 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	67
Hermann-Mauguin space group symbol	C m m a
Hall space group symbol	-C 2a 2
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.237
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
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4308329.cif
179121	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/83.	4308329.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308329.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308329.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308329.cif