Crystallography Open Database

Information card for entry 7113371

Preview

Coordinates	7113371.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sa0401
Formula	C24 H30 Cl Fe2 Ga O4
Calculated formula	C24 H30 Cl Fe2 Ga O4
SMILES	C([Fe]1234(C#[O])([c]5([c]4(C)[c]3([c]2([c]15C)C)C)C)[Ga](Cl)[Fe]1234(C#[O])(C#[O])[c]5([c]4(C)[c]3([c]2(C)[c]15C)C)C)#[O]
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	11.1946 ± 0.0002 Å
b	12.9307 ± 0.0003 Å
c	16.9269 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2450.24 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P c n b
Hall space group symbol	-P 2b 2ac
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113371.cif
114604	2014-05-28	cif/ Adding structures of 7113371, 7113372 via cif-deposit CGI script.	7113371.cif