Crystallography Open Database

Information card for entry 1559663

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Coordinates	1559663.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ethylenethiourea[N,N-bis(dimethylene)oxide-N'- phenylthiourea]phenyltellurium(II)
Formula	C20 H25 Br N4 O S2 Te
Calculated formula	C20 Br N4 O S2 Te
SMILES	[Te+]([S]=C1NC=CN1)([S]=C(N1CCOCC1)Nc1ccccc1)c1ccccc1.[Br-]
Title of publication	The Crystal and Molecular Structure of 4-Ethoxyphenyltellurenyl Methylxanthate, C2H5OPhTeSC(S)OCH3, 4-Ethoxyphenyltellurenyl Dimethyldithiophosphate, C2H5OPhTeSP(S)(OCH3)2, and Ethylenethiourea[N,N-bis(dimethylene)oxide-N'- phenylthiourea]phenyltellurium(II) Bromide, [PhTe(etu)SC(NHPh)N(CH2)4O]Br
Authors of publication	Husebye, Steinar; Maartmann-Moe, Knut; Mikalsen, Oyvind
Journal of publication	Acta Chemica Scandinavica
Year of publication	1990
Journal volume	44
Pages of publication	464 - 469
a	8.684 ± 0.001 Å
b	14.16 ± 0.003 Å
c	10.375 ± 0.001 Å
α	90°
β	108.99 ± 0.01°
γ	90°
Cell volume	1206.3 ± 0.3 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.049
Goodness-of-fit parameter for all reflections included in the refinement	1.638
Diffraction radiation probe	x-ray
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
259356 (current)	2020-11-30	cif/ Adding structures of 1559663 via cif-deposit CGI script.	1559663.cif