Crystallography Open Database

Information card for entry 2311354

Preview

Coordinates	2311354.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis(benzoato-κ<i>O</i>)octabutyldi-μ~3~-oxido-tetratin(IV)
Formula	C60 H92 O10 Sn4
Calculated formula	C60 H92 O10 Sn4
Title of publication	Bis(μ-benzoato-κ<sup>2</sup><i>O</i>:<i>O</i>')bis-(benzoato-κ<i>O</i>)octabutyldi-μ<sub>3</sub>-oxido-tetra-tin(IV).
Authors of publication	Reuter, Hans; Okio, Coco K. Y. A.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 3
Pages of publication	322 - 326
a	14.3221 ± 0.0006 Å
b	14.3742 ± 0.0006 Å
c	17.4049 ± 0.0007 Å
α	66.915 ± 0.002°
β	81.233 ± 0.002°
γ	78.528 ± 0.002°
Cell volume	3219.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0407
Weighted residual factors for all reflections included in the refinement	0.0429
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
245818 (current)	2019-12-25	cif/ Adding structures of 2311354 via cif-deposit CGI script.	2311354.cif