Crystallography Open Database

Information card for entry 7111692

Preview

Coordinates	7111692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H152 Si18
Calculated formula	C70 H152 Si18
SMILES	c1(c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)/[Si](=[Si](C#C[Si](C)(C)C)/c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C#C[Si](C)(C)C
Title of publication	1,2-Dialkynyldisilenes: silicon analogues of (E)-enediyne
Authors of publication	Sato, Takahiro; Mizuhata, Yoshiyuki; Tokitoh, Norihiro
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	24
Pages of publication	4402 - 4404
a	13.4469 ± 0.0016 Å
b	13.4846 ± 0.0013 Å
c	15.106 ± 0.002 Å
α	69.666 ± 0.005°
β	68.255 ± 0.008°
γ	72.742 ± 0.008°
Cell volume	2340.9 ± 0.5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 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	0.0916
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1803
Weighted residual factors for all reflections included in the refinement	0.2022
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7111692.cif
96738	2014-01-29	cif/ Adding structures of 7111692, 7111693 via cif-deposit CGI script.	7111692.cif