Crystallography Open Database

Information card for entry 7024176

Preview

Coordinates	7024176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 Ba Cl8 Ga2
Calculated formula	C8 H8 Ba Cl8 Ga2
SMILES	c1cc(ccc1).[Ba+2].[Cl-][Ga](Cl)(Cl)Cl.c1ccccc1.[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	24.271 ± 0.003 Å
b	14.0021 ± 0.0009 Å
c	19.27 ± 0.003 Å
α	90°
β	100.142 ± 0.007°
γ	90°
Cell volume	6446.5 ± 1.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0929
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
288155 (current)	2023-12-07	cif/ Corrected the misspelt variants of the '_exptl_absorpt_process_details' data name in entries 1505873, 1544991, 4073643, 4305165, 7010138, 7010142, 7024176, 7114930, 7242338.	7024176.cif
211691	2018-10-29	cif/7: Fixing Z values and formulae	7024176.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.	7024176.cif
92242	2014-01-12	cif/ Adding structures of 7024175, 7024176 via cif-deposit CGI script.	7024176.cif