Crystallography Open Database

Information card for entry 4030912

Preview

Coordinates	4030912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H66 Fe8 N6 O62 P14
Calculated formula	C12 Fe8 N6 O62 P14
Title of publication	Hydrothermal synthesis and structural determination of a three-dimensional microporous iron(III)phosphate [H~3~N(CH~2~)~4~NH~3~]~3~[Fe~8~(HPO~4~)~12~(PO~4~)~2~(H~2~O)~6~]
Authors of publication	Korzenski, M. B.; Schimek, G. L.; Kolis, J. W.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1998
Journal volume	35
Journal issue	2
Pages of publication	143 - 160
a	13.495 ± 0.002 Å
b	13.495 ± 0.002 Å
c	9.396 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	1481.9 ± 0.4 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.048
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation probe	x-ray
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
182188 (current)	2016-04-18	cif/4/03/ (antanas@kurmis) Updating bibliography for entries 4030911-4030916.	4030912.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4030912.cif
134650	2015-04-03	cif/ Adding structures of 4030912 via cif-deposit CGI script.	4030912.cif