Crystallography Open Database

Information card for entry 7034626

Preview

Coordinates	7034626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81.5 H159 Cl3 Fe11 N O39
Calculated formula	C81.5 H159 Cl3 Fe11 N O39
Title of publication	Undecametallic and hexadecametallic ferric oxo-hydroxo/ethoxo pivalate clusters.
Authors of publication	Baca, Svetlana G.; Speldrich, Manfred; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	17
Pages of publication	7777 - 7780
a	13.2026 ± 0.0018 Å
b	16.084 ± 0.002 Å
c	27.889 ± 0.004 Å
α	95.898 ± 0.002°
β	90.145 ± 0.002°
γ	96.779 ± 0.002°
Cell volume	5849.1 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1238
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1762
Weighted residual factors for all reflections included in the refinement	0.2093
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7034626.cif
138741	2015-06-07	cif/ Updating files of 7034626, 7034627, 7034628, 7034629, 7034630 Original log message: Adding full bibliography for 7034626--7034630.cif.	7034626.cif
134471	2015-03-28	cif/ Adding structures of 7034626, 7034627, 7034628, 7034629, 7034630 via cif-deposit CGI script.	7034626.cif