Crystallography Open Database

Information card for entry 8105899

Preview

Coordinates	8105899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H136 N4 O10 S8 Sn4
Calculated formula	C100 H136 N4 O10 S8 Sn4
Title of publication	Crystal structure of bis[(μ3-oxido)-(μ2-(N,N-diisopropylthiocarbamoylthio) acetato-κ2 O,O′)-((N,N-diisopropylthiocarbamoylthio)acetato-κO)-bis(di-4-methylbenzyl-tin(IV))], C100H136N4O10S8Sn4
Authors of publication	Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	5
Pages of publication	943 - 946
a	13.7756 ± 0.0004 Å
b	13.9663 ± 0.0005 Å
c	16.6392 ± 0.0005 Å
α	71.501 ± 0.002°
β	73.952 ± 0.002°
γ	63.18 ± 0.002°
Cell volume	2675.49 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
278648 (current)	2022-10-20	cif/ Adding structures of 8105899 via cif-deposit CGI script.	8105899.cif