Crystallography Open Database

Information card for entry 4107461

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Coordinates	4107461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H8 B F20 N O4 Re
Calculated formula	C32 H8 B F20 N O4 Re
Title of publication	[Re(η5-C5H5)(CO)3]+ Family of 17-Electron Compounds: Monomer/Dimer Equilibria and Other Reactions
Authors of publication	Daesung Chong; Derek R. Laws; Ayman Nafady; Paulo Jorge Costa; Arnold L. Rheingold; Maria José Calhorda; William E. Geiger
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2692 - 2703
a	11.9709 ± 0.0005 Å
b	12.1176 ± 0.0005 Å
c	12.3692 ± 0.0006 Å
α	94.268 ± 0.001°
β	92.209 ± 0.001°
γ	118.233 ± 0.001°
Cell volume	1570.85 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0616
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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