Crystallography Open Database

Information card for entry 7029383

Preview

Coordinates	7029383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe13 H146 Na33 O319 P12 W60
Calculated formula	Fe13 Na20 O318.9 P12 W60
Title of publication	Assembly and core transformation properties of two tetrahedral clusters: [Fe(III)13P8W60O227(OH)15(H2O)2](30-) and [Fe(III)13P8W60O224(OH)12(PO4)4](33-).
Authors of publication	Molina, Pedro I.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	13
Pages of publication	5190 - 5199
a	24.8202 ± 0.0003 Å
b	27.1921 ± 0.0004 Å
c	31.4135 ± 0.0004 Å
α	70.5521 ± 0.0012°
β	86.2853 ± 0.0009°
γ	69.6989 ± 0.0012°
Cell volume	18719 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1127
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1303
Weighted residual factors for all reflections included in the refinement	0.1608
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7029383.cif
108287	2014-03-30	cif/ Adding structures of 7029383 via cif-deposit CGI script.	7029383.cif