Crystallography Open Database

Information card for entry 4065372

Preview

Coordinates	4065372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H133 Br Li6 O49 Sb12
Calculated formula	C84 H84 Br0.976 Li5.2 O46.319 Sb12
Title of publication	New Sb12and Sb14Polyoxometalate Frameworks Derived from Arylstibonic Acids: [LiH3(p-MeC6H4Sb)12O28]4‒and [BaH10(p-MeC6H4Sb)14O34]
Authors of publication	Nicholson, Brian K.; Clark, Christopher J.; Wright, Cody E.; Telfer, Shane G.; Groutso, Tania
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	24
Pages of publication	6612
a	22.5271 ± 0.0003 Å
b	29.5173 ± 0.0004 Å
c	35.9883 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	23930 ± 0.6 Å³
Cell temperature	89 ± 2 K
Ambient diffraction temperature	89 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0907
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
178546 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/53.	4065372.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065372.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065372.cif
33263	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065372 via cif-deposit CGI script.	4065372.cif