Crystallography Open Database

Information card for entry 8102492

Preview

Coordinates	8102492.cif

Structure parameters

Formula	C20 H40 Cl6 In O5 Yb
Calculated formula	C20 H40 Cl6 In O5 Yb
SMILES	[Yb](Cl)(Cl)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[In](Cl)(Cl)([Cl-])Cl
Title of publication	Crystal structure of dichloropentakis(tetrahydrofurano)ytterbium(III) tetrachloroindate(III), [YbCl2(C4H8O)5][InCl4]
Authors of publication	Michael Claesener; Martin Jansen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	3
Pages of publication	501
a	7.9739 ± 0.0008 Å
b	17.3136 ± 0.0016 Å
c	22.501 ± 0.002 Å
α	90°
β	91.281 ± 0.001°
γ	90°
Cell volume	3105.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0345
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	0.817
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102492.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102492.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102492.cif
13231	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102492 via cif-deposit CGI script.	8102492.cif