Crystallography Open Database

Information card for entry 4326362

Preview

Coordinates	4326362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 Cl4 Ga2 N2 O2
Calculated formula	C8 H20 Cl4 Ga2 N2 O2
SMILES	C[N]1([Ga]2(Cl)([O](CC1)[Ga]1([N](CC[O]21)(C)C)(Cl)Cl)Cl)C
Title of publication	Synthetic and Structural Studies of Donor-Functionalized Alkoxy Derivatives of Gallium
Authors of publication	Caroline E. Knapp; David Pugh; Paul F. McMillan; Ivan P. Parkin; Claire J. Carmalt
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9491 - 9498
a	6.9419 ± 0.0006 Å
b	10.253 ± 0.0009 Å
c	13.4989 ± 0.001 Å
α	90°
β	118.541 ± 0.003°
γ	90°
Cell volume	844.03 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0234
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0535
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
179366 (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 4/32/63.	4326362.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326362.cif
48526	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326362 via cif-deposit CGI script.	4326362.cif