Crystallography Open Database

Information card for entry 8105514

Preview

Coordinates	8105514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H13 Cl3 O2 Te
Calculated formula	C11 H13 Cl3 O2 Te
SMILES	[Te](Cl)(Cl)(c1ccc(OC)cc1)C(=C\Cl)\COC
Title of publication	Crystal structure of (E)-dichloro(1-chloro-3-methoxyprop-1-en-2-yl)(4-methoxyphenyl)-λ4-tellane, C11H13Cl3O2Te
Authors of publication	Caracelli, Ignez; Zukerman-Schpector, Julio; Cunha, Rodrigo L.O.R.; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1535 - 1537
a	11.0098 ± 0.0008 Å
b	16.471 ± 0.001 Å
c	8.4975 ± 0.0007 Å
α	90°
β	99.421 ± 0.007°
γ	90°
Cell volume	1520.17 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0456
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
276245 (current)	2022-06-24	cif/ Adding structures of 8105514 via cif-deposit CGI script.	8105514.cif