Crystallography Open Database

Information card for entry 7110505

Preview

Coordinates	7110505.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-μ~2~-Cl-μ~3~-O-[1,3-Bis(trimethylsilylmethyl)-1,3-dichloro-1,3- distanna-2-oxa-5,8-disila-5,5,8,8-tetramethyl-cyclo-6-nonine]-dimer
Formula	C32 H76 Cl4 O2 Si8 Sn4
Calculated formula	C32 H76 Cl4 O2 Si8 Sn4
SMILES	[Sn]123([Cl][Sn]456([Cl][Sn]7([Cl][Sn]([Cl]1)([O]24)([O]57)(C[Si](C#C[Si](C3)(C)C)(C)C)C[Si](C)(C)C)(C[Si](C#C[Si](C6)(C)C)(C)C)C[Si](C)(C)C)C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Tetraorganodistannoxanes: formation of a novel cis-ladder†
Authors of publication	Schulte, Marcus; Schürmann, Markus; Jurkschat, Klaus; Dakternieks, Dainis
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	14
Pages of publication	1291
a	13.24 ± 0.001 Å
b	15.536 ± 0.001 Å
c	16.387 ± 0.001 Å
α	78.643 ± 0.001°
β	75.868 ± 0.001°
γ	68.096 ± 0.001°
Cell volume	3011.7 ± 0.4 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	0.0617
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
180219 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/05.	7110505.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	7110505.cif
95287	2014-01-28	cif/ Adding structures of 7110505 via cif-deposit CGI script.	7110505.cif