Crystallography Open Database

Information card for entry 4068492

Preview

Coordinates	4068492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H24 Cl4 Ga4
Calculated formula	C48 H24 Cl4 Ga4
SMILES	c12c3c(ccc1)c1c3c([Ga]34[Cl][Ga]52c2cccc6c2c2c6cccc2[Ga]2([Cl]5)c5c6c7c(cccc7c6ccc5)[Ga](c5c6c(ccc5)c5c6c3ccc5)([Cl]4)[Cl]2)ccc1
Title of publication	Synthesis and Reactivity of a Tetragallium Macrocycle
Authors of publication	Kilyanek, Stefan M.; Fang, Xiangdong; Jordan, Richard F.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	1
Pages of publication	300
a	15.793 ± 0.003 Å
b	22.495 ± 0.005 Å
c	16.567 ± 0.004 Å
α	90°
β	107.125 ± 0.004°
γ	90°
Cell volume	5625 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0504
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
178574 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/84.	4068492.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068492.cif
39788	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068492 via cif-deposit CGI script.	4068492.cif