Crystallography Open Database

Information card for entry 4101981

4101980 << 4101981 >> 4101982

Preview

Coordinates	4101981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H162 O2 Si16
Calculated formula	C74 H162 O2 Si16
Title of publication	Reactivity of an Aryl-Substituted Silicon-Silicon Triple Bond: Reactions of a 1,2-Diaryldisilyne with Alkenes
Authors of publication	Joon Soo Han; Takahiro Sasamori; Yoshiyuki Mizuhata; Norihiro Tokitoh
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	2546 - 2547
a	12.2291 ± 0.0001 Å
b	13.0394 ± 0.0002 Å
c	16.4212 ± 0.0003 Å
α	94.7085 ± 0.0008°
β	106.87 ± 0.0006°
γ	104.595 ± 0.0006°
Cell volume	2390.68 ± 0.06 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4101981.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101981.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101981.cif
24800	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101981 via cif-deposit CGI script.	4101981.cif