Crystallography Open Database

Information card for entry 4329135

Preview

Coordinates	4329135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H69 Cr2 F45 Ho3 N13 O12
Calculated formula	C60 H69 Cr2 F45 Ho3 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	24.242 ± 0.002 Å
b	15.402 ± 0.002 Å
c	24.956 ± 0.004 Å
α	90°
β	92.042 ± 0.01°
γ	90°
Cell volume	9312 ± 2 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	0.072
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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.	4329135.cif
78175	2013-04-01	cif/ Adding structures of 4329135 via cif-deposit CGI script.	4329135.cif