Crystallography Open Database

Information card for entry 4113818

Preview

Coordinates	4113818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C162 H324 K9 Mo3 N18 O54 Sb24
Calculated formula	C162 H324 K9 Mo3 N18 O54 Sb24
Title of publication	Controlled Aggregation of ME8n- Binary Anions (M = Cr, Mo; E = As, Sb) into One-Dimensional Arrays: Structures, Magnetism and Spectroscopy
Authors of publication	Banu Kesanli; James Fettinger; Bryan Eichhorn
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	7367 - 7376
a	25.8992 ± 0.001 Å
b	25.3671 ± 0.001 Å
c	38.125 ± 0.002 Å
α	90°
β	92.409 ± 0.001°
γ	90°
Cell volume	25025.5 ± 1.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
178909 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/38.	4113818.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113818.cif
67092	2012-09-19	cif/ Adding structures of 4113818 via cif-deposit CGI script.	4113818.cif