Crystallography Open Database

Information card for entry 4109178

Preview

Coordinates	4109178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H84 Mn5 N4 O38 Sb12
Calculated formula	C82.88 H73.9 Mn5 N4 O38 Sb12
Title of publication	Reverse-Keggin Ions: Polycondensation of Antimonate Ligands Give Inorganic Cryptand
Authors of publication	Viswanathan Baskar; Maheswaran Shanmugam; Madeleine Helliwell; Simon J. Teat; Richard E. P. Winpenny
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3042 - 3043
a	19.397 ± 0.004 Å
b	25.825 ± 0.005 Å
c	22.624 ± 0.005 Å
α	90°
β	101.24 ± 0.03°
γ	90°
Cell volume	11116 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.195
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178837 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/91.	4109178.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109178.cif
57933	2012-05-23	cif/ Adding structures of 4109178 via cif-deposit CGI script.	4109178.cif