Crystallography Open Database

Information card for entry 4320273

4320272 << 4320273 >> 4320274

Preview

Coordinates	4320273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H120 K7 O81 Ta7
Calculated formula	C36 H70 K6 O82.8 Ta7
Title of publication	Complexation of a Heptanuclear Polyoxotantalate Anion with K+: Formation of a Supramolecular [K6-(μ-OH2)6-(OH2)8]6+ Ring Structure
Authors of publication	Bernd Morgenstern; Jürgen Sander; Volker Huch; Kaspar Hegetschweiler
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5307 - 5310
a	12.539 ± 0.003 Å
b	17.01 ± 0.003 Å
c	21.027 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4484.8 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179305 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/02.	4320273.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320273.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320273.cif
17177	2011-04-05	../uploads/cif-deposit/cod/cif Adding structures of 4320273 via cif-deposit CGI script.	4320273.cif