Crystallography Open Database

Information card for entry 4326675

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Structure parameters

Formula	C32 H66 N2 S2 Si6
Calculated formula	C32 H66 N2 S2 Si6
SMILES	S1[Si](S[Si]1(N([Si](C)(C)C)[Si](C)(C)C)C1(C(=C(C(=C1C)C)C)C)C)(N([Si](C)(C)C)[Si](C)(C)C)C1(C(=C(C(=C1C)C)C)C)C
Title of publication	Reactivity Studies of a Disilene with N2O and Elemental Sulfur
Authors of publication	Shabana Khan; Reent Michel; Debasis Koley; Herbert W. Roesky; Dietmar Stalke
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10878 - 10883
a	10.384 ± 0.006 Å
b	12.874 ± 0.007 Å
c	16.36 ± 0.009 Å
α	72.12 ± 0.02°
β	78.51 ± 0.02°
γ	75.56 ± 0.02°
Cell volume	1997.8 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0636
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4326675.cif
179369	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 4/32/66.	4326675.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326675.cif
49449	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326675 via cif-deposit CGI script.	4326675.cif