Crystallography Open Database

Information card for entry 4326360

Preview

Coordinates	4326360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H27 Ga N2 O2
Calculated formula	C11 H27 Ga N2 O2
SMILES	C[Ga]12([N](C)(C)C[C@H](C)O1)[N](C)(C)C[C@H](C)O2.C[Ga]12([N](C)(C)C[C@@H](C)O1)[N](C)(C)C[C@@H](C)O2
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	7.8482 ± 0.0002 Å
b	8.0323 ± 0.0003 Å
c	12.0382 ± 0.0003 Å
α	99.273 ± 0.002°
β	92.909 ± 0.002°
γ	102.636 ± 0.002°
Cell volume	727.9 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	4326360.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326360.cif
48524	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326360 via cif-deposit CGI script.	4326360.cif