Crystallography Open Database

Information card for entry 4313974

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Coordinates	4313974.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	compound 8
Formula	C22 H35 Ga O2
Calculated formula	C22 H35 Ga O2
SMILES	O1CCOCC1.CC(C#C[Ga](C#CC(C)(C)C)C#CC(C)(C)C)(C)C
Title of publication	Neutral and Ionic Aluminum, Gallium, and Indium Compounds Carrying Two or Three Terminal Ethynyl Groups
Authors of publication	Marcus Schiefer; N. Dastagiri Reddy; Hans-Jürgen Ahn; Andreas Stasch; Herbert W. Roesky; A. Christine Schlicker; Hans-Georg Schmidt; Mathias Noltemeyer; Denis Vidovic
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	4970 - 4976
a	18.91 ± 0.004 Å
b	17.713 ± 0.004 Å
c	6.8213 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2284.8 ± 0.8 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0264
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
179207 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/39.	4313974.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313974.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313974.cif
7046	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4313974 via cif-deposit CGI script.	4313974.cif