Crystallography Open Database

Information card for entry 4109177

Preview

Coordinates	4109177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H90 Mn5 N O42 Sb12
Calculated formula	C75.88 H62.9 Mn5 N O42 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	38.1126 ± 0.0017 Å
b	25.3743 ± 0.0011 Å
c	27.1887 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	26294 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1852
Weighted residual factors for all reflections included in the refinement	0.2058
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.6709 Å
Diffraction radiation type	synchrotron
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.	4109177.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109177.cif
57932	2012-05-23	cif/ Adding structures of 4109177 via cif-deposit CGI script.	4109177.cif