Crystallography Open Database

Information card for entry 2020442

2020441 << 2020442 >> 2020443

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Structure parameters

Chemical name	Di-<i>n</i>-butylbis{2-hydroxy-5-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-yl]benzoato}tin(IV) benzene hemisolvate
Formula	C78 H86 N8 O12 Sn2
Calculated formula	C78 H86 N8 O12 Sn2
Title of publication	π‒π stacking motifs in dialkylbis{5-[(<i>E</i>)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes
Authors of publication	Linden, Anthony; Basu Baul, Tushar S.
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	4
Pages of publication	313 - 325
a	12.0462 ± 0.0001 Å
b	13.6264 ± 0.0002 Å
c	22.8143 ± 0.0003 Å
α	102.267 ± 0.0006°
β	100.318 ± 0.0006°
γ	91.6029 ± 0.0006°
Cell volume	3591.71 ± 0.08 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
182542 (current)	2016-05-04	cif/ Updating files of 2020441, 2020442 Original log message: Adding full bibliography for 2020441--2020442.cif.	2020442.cif 2020442.hkl
181874	2016-04-06	hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04	2020442.cif 2020442.hkl
179283	2016-03-23	cif/ hkl/ Adding structures of 2020441, 2020442 via cif-deposit CGI script.	2020442.cif 2020442.hkl