Crystallography Open Database

Information card for entry 7024175

Preview

Coordinates	7024175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 Ba Cl8 Ga2
Calculated formula	C8 H8 Ba Cl8 Ga2
SMILES	c1ccccc1.c1ccccc1.[Ba+2].[Cl-][Ga](Cl)(Cl)Cl.[Cl-][Ga](Cl)(Cl)Cl
Title of publication	Dimorphic (Ba[GaCl(4)](2))(3).2C(6)H(6): a case of coordination extremes.
Authors of publication	Lindsjö, Martin; Fischer, Andreas; Kloo, Lars
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	6
Pages of publication	1467 - 1469
a	13.955 ± 0.005 Å
b	13.955 ± 0.005 Å
c	33.13 ± 0.01 Å
α	90°
β	90°
γ	120°
Cell volume	5587 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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
212870 (current)	2019-01-06	cif/7 Fixing some Z values and formulae	7024175.cif
179946	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/41.	7024175.cif
92242	2014-01-12	cif/ Adding structures of 7024175, 7024176 via cif-deposit CGI script.	7024175.cif