Crystallography Open Database

Information card for entry 4065371

Preview

Coordinates	4065371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H114 Ba O38 Sb14
Calculated formula	C98 H77 Ba O37.28 Sb14
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	15.7738 ± 0.0007 Å
b	16.622 ± 0.0008 Å
c	23.858 ± 0.0017 Å
α	103.274 ± 0.007°
β	104.929 ± 0.007°
γ	97.805 ± 0.007°
Cell volume	5755 ± 0.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.108
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.2122
Weighted residual factors for all reflections included in the refinement	0.2429
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4065371.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065371.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065371.cif
33262	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065371 via cif-deposit CGI script.	4065371.cif