Crystallography Open Database

Information card for entry 7113372

Preview

Coordinates	7113372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H42 B F24 Fe2 Ga O4
Calculated formula	C56 H42 B F24 Fe2 Ga O4
Title of publication	Fe-Ga multiple bonding? Synthesis, spectroscopic and structural characterization of a transition metal complex containing a cationic two-coordinate gallium centre.
Authors of publication	Bunn, Natalie R.; Aldridge, Simon; Coombs, Deborah L.; Rossin, Andrea; Willock, David J.; Jones, Cameron; Ooi, Li-ling
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	15
Pages of publication	1732 - 1733
a	14.442 ± 0.003 Å
b	15.004 ± 0.003 Å
c	15.541 ± 0.003 Å
α	66.25 ± 0.03°
β	71.75 ± 0.03°
γ	75.17 ± 0.03°
Cell volume	2894.5 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
180247 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/33.	7113372.cif
114604	2014-05-28	cif/ Adding structures of 7113371, 7113372 via cif-deposit CGI script.	7113372.cif