Crystallography Open Database

Information card for entry 4110133

Preview

Coordinates	4110133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 Cl2 Ga2 N2
Calculated formula	C34 H36 Cl2 Ga2 N2
Title of publication	Gallepins. Neutral Gallium Analogues of the Tropylium Ion: Synthesis, Structure, and Aromaticity
Authors of publication	Brandon Quillian; Yuzhong Wang; Pingrong Wei; Chaitanya S. Wannere; Paul V. R. Schleyer; Gregory H. Robinson
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	13380 - 13381
a	26.8548 ± 0.001 Å
b	7.6807 ± 0.0003 Å
c	16.9633 ± 0.0006 Å
α	90°
β	113.404 ± 0.001°
γ	90°
Cell volume	3211 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
178872 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/01.	4110133.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110133.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110133.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110133.cif