Crystallography Open Database

Information card for entry 7048223

Preview

Coordinates	7048223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H56 O8 S4 Sn
Calculated formula	C32 H56 O8 S4 Sn
Title of publication	Spirocyclic tin salicyl alcoholates - a combined experimental and theoretical study on their structures, <sup>119</sup>Sn NMR chemical shifts and reactivity in thermally induced twin polymerization.
Authors of publication	Kitschke, Philipp; Preda, Ana-Maria; Auer, Alexander A.; Scholz, Sebastian; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	48
Journal issue	1
Pages of publication	220 - 230
a	9.0501 ± 0.0008 Å
b	9.8219 ± 0.0009 Å
c	11.8177 ± 0.0011 Å
α	72.18 ± 0.008°
β	73.284 ± 0.008°
γ	88.618 ± 0.007°
Cell volume	955.45 ± 0.16 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.0233
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223945 (current)	2019-11-07	cif/ Updating files of 7048223 Original log message: Adding full bibliography for 7048223.cif.	7048223.cif
212123	2018-11-23	cif/ Adding structures of 7048223 via cif-deposit CGI script.	7048223.cif