Crystallography Open Database

Information card for entry 4089321

Preview

Coordinates	4089321.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Sn(iPr)(O2CCF3){(Me3Si)2CSiMe2CH2CH2SiMe2C(SiMe3)2}]
Formula	C25 H59 F3 O2 Si6 Sn
Calculated formula	C25 H59 F3 O2 Si6 Sn
SMILES	[Sn]1(OC(=O)C(F)(F)F)(C([Si](C)(C)CC[Si](C1([Si](C)(C)C)[Si](C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(C)C
Title of publication	Reactions of a Highly Crowded Cyclic Stannylene with Iodoalkanes, Enones, and Dienes. Inhibition of Nucleophilic Substitution at Tin(IV) Centers
Authors of publication	Asadi, Ashrafolmolouk; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	12
Pages of publication	2430
a	9.5492 ± 0.0002 Å
b	44.979 ± 0.002 Å
c	17.0348 ± 0.0008 Å
α	90°
β	92.488 ± 0.003°
γ	90°
Cell volume	7309.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1175
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation probe	x-ray
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
247255 (current)	2020-01-27	cif/4/08/93/ Removed the extra quotation marks from the value of the '_chemical_name_common' data item in entry 4089321.	4089321.cif
243610	2019-11-26	cif/ Adding structures of 4089321, 4089322 via cif-deposit CGI script.	4089321.cif