Crystallography Open Database

Information card for entry 2240992

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Structure parameters

Chemical name	Octa-μ~3~-selenido-(<i>p</i>-toluenesulfonato-κ<i>O</i>)pentakis(triethylphosphane-κ<i>P</i>)-<i>octahedro</i>-hexarhenium(III) <i>p</i>-toluenesulfonate dichloromethane disolvate
Formula	C46 H93 Cl4 O6 P5 Re6 S2 Se8
Calculated formula	C46 H93 Cl4 O6 P5 Re6 S2 Se8
Title of publication	Crystal structure of octa-μ~3~-selenido-(<i>p</i>-toluenesulfonato-κ<i>O</i>)pentakis(triethylphosphane-κ<i>P</i>)-<i>octahedro</i>-hexarhenium(III) <i>p</i>-toluenesulfonate dichloromethane disolvate
Authors of publication	Edwards, Julia A.; McDonald, Robert; Szczepura, Lisa F.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	9
Pages of publication	m158 - m159
a	11.7432 ± 0.001 Å
b	16.6878 ± 0.0014 Å
c	18.9786 ± 0.0016 Å
α	93.4729 ± 0.0011°
β	95.9862 ± 0.0012°
γ	100.085 ± 0.0011°
Cell volume	3629.9 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
181909 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09	2240992.cif 2240992.hkl
153379	2015-08-13	cif/ hkl/ Adding structures of 2240992 via cif-deposit CGI script.	2240992.cif 2240992.hkl