Crystallography Open Database

Information card for entry 7005533

Preview

Coordinates	7005533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 As6 Fe4 N2 O22
Calculated formula	C4 H12 As6 Fe4 N2 O22
Title of publication	Iron arsenate frameworks.
Authors of publication	Wiggin, Seth B.; Hughes, Robert W.; Price, Daniel J.; Weller, Mark T.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	27
Pages of publication	2935 - 2941
a	6.7503 ± 0.0002 Å
b	7.7757 ± 0.0003 Å
c	11.2924 ± 0.0003 Å
α	72.396 ± 0.002°
β	80.801 ± 0.002°
γ	79.085 ± 0.002°
Cell volume	551.4 ± 0.03 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179759 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/55.	7005533.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005533.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005533.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005533.cif