Crystallography Open Database

Information card for entry 2240052

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Structure parameters

Chemical name	Diammonium hexaphosphitopentaferrate(II)
Formula	Fe5 H14 N2 O18 P6
Calculated formula	Fe5 H6 N2.0004 O18 P6
Title of publication	Crystal structure of (NH~4~)~2~[Fe^II^~5~(HPO~3~)~6~], a new open-framework phosphite
Authors of publication	Berrocal, Teresa; Mesa, Jose Luis; Larrea, Edurne; Arrieta, Juan Manuel
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	11
Pages of publication	309 - 311
a	10.3862 ± 0.0015 Å
b	10.3862 ± 0.0015 Å
c	9.2089 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	860.3 ± 0.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181900 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00	2240052.cif 2240052.hkl
181320	2016-04-03	hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00.	2240052.cif 2240052.hkl
176809	2016-02-21	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2.	2240052.cif 2240052.hkl
125116	2014-10-09	cif/ hkl/ Adding structures of 2240052 via cif-deposit CGI script.	2240052.cif 2240052.hkl