Crystallography Open Database

Information card for entry 4117921

Preview

Coordinates	4117921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 Cl2 Ga N
Calculated formula	C24 H36 Cl2 Ga N
SMILES	[Ga]1(Cl)(Cl)[N](Cc2c1c(cc(c2)C(C)(C)C)C(C)(C)C)(C)C.c1(ccccc1)C
Title of publication	Understanding the Reactivity of Strained Sandwich Compounds with Aluminum or Gallium in Bridging Positions: Experiments and DFT Calculations
Authors of publication	Bidraha Bagh; Gabriele Schatte; Jennifer C. Green; Jens Müller
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	7924 - 7936
a	10.7202 ± 0.0004 Å
b	17.673 ± 0.0006 Å
c	14.0352 ± 0.0005 Å
α	90°
β	109.973 ± 0.001°
γ	90°
Cell volume	2499.15 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0427
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178950 (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 4/11/79.	4117921.cif
75059	2013-03-06	cif/ Adding structures of 4117921 via cif-deposit CGI script.	4117921.cif