Crystallography Open Database

Information card for entry 1548808

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Coordinates	1548808.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,2'-bis[diethylaminomethyl] -6,6'-thiobis[4-t-butylphenol]
Formula	C34 H56 N2 O2 S
Calculated formula	C34 H56 N2 O2 S
SMILES	S(c1c(O)c(cc(c1)C(C)(C)C)CN(CCC)CCC)c1c(O)c(cc(c1)C(C)(C)C)CN(CCC)CCC
Title of publication	Thiodiphenol-Based n-Dialkylamino Extractants for Selective Platinum Group Metal Separation from Automotive Catalysts
Authors of publication	Yamada, Manabu; Rajiv Gandhi, Muniyappan; Kaneta, Yu; Kimura, Nozomi; Katagiri, Hiroshi
Journal of publication	Industrial & Engineering Chemistry Research
Year of publication	2018
a	15.9714 ± 0.0003 Å
b	18.4729 ± 0.0004 Å
c	11.1685 ± 0.0002 Å
α	90°
β	92.514 ± 0.002°
γ	90°
Cell volume	3291.96 ± 0.11 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 ± 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	0.0562
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
205780 (current)	2018-01-28	cif/ Adding structures of 1548808 via cif-deposit CGI script.	1548808.cif