Crystallography Open Database

Information card for entry 7106730

Preview

Coordinates	7106730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H82 Cl8 F12 N18 O16 Re4 S4
Calculated formula	C50 H82 Cl8 F12 N18 O16 Re4 S4
Title of publication	An uncommon highly oxidized multiple bonded Re28+ species
Authors of publication	Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	8940
a	13.399 ± 0.008 Å
b	15.484 ± 0.01 Å
c	20.484 ± 0.012 Å
α	80.22 ± 0.011°
β	86.058 ± 0.011°
γ	75.259 ± 0.01°
Cell volume	4049 ± 4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 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	0.0558
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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