Crystallography Open Database

Information card for entry 4101982

4101981 << 4101982 >> 4101983

Preview

Coordinates	4101982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H144 Si16
Calculated formula	C66 H144 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	12.9267 ± 0.0001 Å
b	12.9267 ± 0.0001 Å
c	52.8783 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8835.94 ± 0.13 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	3
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.217
Diffraction radiation wavelength	0.71069 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.	4101982.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101982.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101982.cif
24801	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101982 via cif-deposit CGI script.	4101982.cif