Crystallography Open Database

Information card for entry 4103591

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Coordinates	4103591.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]- 1-(2,2-dimethylpropyl)-4-isopropyl-2-tetrasilyne
Formula	C36 H94 Si12
Calculated formula	C36 H94 Si12
SMILES	[Si](#[Si][Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)CC(C)(C)C)[Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C
Title of publication	Unsymmetrically Substituted Disilyne Dsi2iPrSi-Si\τbSi-SiNpDsi2 (Np = CH2tBu): Synthesis and Characterization
Authors of publication	Yoshitaka Murata; Masaaki Ichinohe; Akira Sekiguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	16768 - 16770
a	10.9153 ± 0.0018 Å
b	16.404 ± 0.003 Å
c	18.292 ± 0.003 Å
α	105.255 ± 0.002°
β	104.71 ± 0.002°
γ	109.116 ± 0.002°
Cell volume	2770 ± 0.8 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0931
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178781 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/35.	4103591.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 {}'	4103591.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103591.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103591.cif
26581	2011-09-22	../uploads/cif-deposit/cod/cif Adding structures of 4103591 via cif-deposit CGI script.	4103591.cif