Crystallography Open Database

Information card for entry 4327682

Preview

Coordinates	4327682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H72 F4 O4 Si4 Sn2
Calculated formula	C32 H72 F4 O4 Si4 Sn2
SMILES	C(C)(C)(C)[Sn]1(O[Si@](F)(C(C)(C)C)[Si@](F)(O[Sn](C(C)(C)C)(C(C)(C)C)O[Si@@](F)(C(C)(C)C)[Si@](O1)(F)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Reactions of [t-Bu2SnO]3 with [t-BuX2Si]2 (X = F, Cl). Syntheses and Structures of Novel Stannasiloxanes and of [(t-Bu2FSn)2O]2, the First Fluorine-Containing Tetraorganodistannoxane
Authors of publication	Jens Beckmann; Monique Biesemans; Karl Hassler; Klaus Jurkschat; Jose C. Martins; Markus Schürmann; Rudolph Willem
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	4891 - 4897
a	9.706 ± 0.001 Å
b	11.732 ± 0.001 Å
c	11.818 ± 0.001 Å
α	114.01 ± 0.001°
β	92.04 ± 0.001°
γ	108.23 ± 0.001°
Cell volume	1146.82 ± 0.18 Å³
Cell temperature	291 ± 1 K
Ambient diffraction temperature	291 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for all reflections	0.0774
Weighted residual factors for significantly intense reflections	0.0732
Goodness-of-fit parameter for all reflections	0.949
Goodness-of-fit parameter for significantly intense reflections	1.04
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179379 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/76.	4327682.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4327682.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327682.cif
61768	2012-07-05	cif/ Adding structures of 4327682 via cif-deposit CGI script.	4327682.cif