Crystallography Open Database

Information card for entry 4329136

Preview

Coordinates	4329136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H69 Cr2 F45 Gd3 N13 O12
Calculated formula	C60 H69 Cr2 F45 Gd3 N13 O12
Title of publication	Fluoride Bridges as Structure-Directing Motifs in 3d-4f Cluster Chemistry
Authors of publication	Torben Birk; Kasper S. Pedersen; Christian Aa. Thuesen; Thomas Weyhermüller; Magnus Schau-Magnussen; Stergios Piligkos; Högni Weihe; Susanne Mossin; Marco Evangelisti; Jesper Bendix
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5435 - 5443
a	24.409 ± 0.004 Å
b	15.508 ± 0.007 Å
c	24.971 ± 0.005 Å
α	90°
β	92.2 ± 0.02°
γ	90°
Cell volume	9445 ± 5 Å³
Cell temperature	122 ± 1 K
Ambient diffraction temperature	122 ± 1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1195
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1772
Weighted residual factors for all reflections included in the refinement	0.2202
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
179394 (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 4/32/91.	4329136.cif
78176	2013-04-01	cif/ Adding structures of 4329136 via cif-deposit CGI script.	4329136.cif