Crystallography Open Database

Information card for entry 7125630

Preview

Coordinates	7125630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H90 Li O8 Sn8
Calculated formula	C90 H87 Li0.5 O6 Sn8
Title of publication	Reductive dehydrocoupling of diphenyltin dihydride with LiAlH<sub>4</sub>: selective synthesis and structures of the first bicyclo[2.2.1]heptastannane-1,4-diide and bicyclo[2.2.2]octastannane-1,4-diide.
Authors of publication	Steller, Beate G.; Fischer, Roland C.; Flock, Michaela; Hill, Michael S.; Liptrot, David J.; McMullin, Claire L.; Rajabi, Nasir A.; Tiefling, Kathrin; Wilson, Andrew S. S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	3
Pages of publication	336 - 339
a	14.2707 ± 0.0006 Å
b	14.2569 ± 0.0006 Å
c	31.4766 ± 0.0013 Å
α	70.797 ± 0.002°
β	67.696 ± 0.002°
γ	60.735 ± 0.002°
Cell volume	5086.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1763
Residual factor for significantly intense reflections	0.1291
Weighted residual factors for significantly intense reflections	0.3265
Weighted residual factors for all reflections included in the refinement	0.3742
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
247621 (current)	2020-02-04	cif/ Updating files of 7125626, 7125627, 7125628, 7125629, 7125630 Original log message: Adding full bibliography for 7125626--7125630.cif.	7125630.cif
244815	2019-11-30	cif/ Adding structures of 7125626, 7125627, 7125628, 7125629, 7125630 via cif-deposit CGI script.	7125630.cif