Crystallography Open Database

Information card for entry 7005883

Preview

Coordinates	7005883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H93 Ga2 N6 O0.5 Zn
Calculated formula	C60 H93 Ga2 N6 O0.5 Zn
Title of publication	Synthesis and characterisation of zinc gallyl complexes: first structural elucidations of Zn-Ga bonds.
Authors of publication	Jones, Cameron; Rose, Richard P.; Stasch, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	28
Pages of publication	2997 - 2999
a	13.953 ± 0.003 Å
b	21.07 ± 0.004 Å
c	46.243 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	13595 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1774
Residual factor for significantly intense reflections	0.1271
Weighted residual factors for significantly intense reflections	0.3003
Weighted residual factors for all reflections included in the refinement	0.3198
Goodness-of-fit parameter for all reflections included in the refinement	1.18
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
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.	7005883.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005883.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005883.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005883.cif