Crystallography Open Database

Information card for entry 4338675

Preview

Coordinates	4338675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H64 Li2 N2 O2 Si3
Calculated formula	C38 H64 Li2 N2 O2 Si3
SMILES	[Si]12([C]3([Si](C)(C)C)[Li]45([O]6CCCC6)[C]61([Si](C)(C)C)[Li]([N]2(CC)CC)([O]1CCCC1)[C]5=6([C]4=3c1ccccc1)c1ccccc1)N(CC)CC
Title of publication	Isolable 1,1-disubstituted silole dianion: a homogeneous two-electron-transfer reducing reagent.
Authors of publication	Han, Zhengang; Li, Jianfeng; Hu, Hongfan; Zhang, Jianying; Cui, Chunming
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	12
Pages of publication	5890 - 5892
a	20.718 ± 0.003 Å
b	21.05 ± 0.003 Å
c	22.539 ± 0.004 Å
α	82.093 ± 0.012°
β	70.7 ± 0.009°
γ	63.88 ± 0.009°
Cell volume	8329 ± 2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1194
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1482
Weighted residual factors for all reflections included in the refinement	0.1794
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179489 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/86.	4338675.cif
119112	2014-07-05	cif/ Updating files of 4338675, 4338676 Original log message: Adding full bibliography for 4338675--4338676.cif.	4338675.cif
114971	2014-05-31	cif/ Adding structures of 4338675, 4338676 via cif-deposit CGI script.	4338675.cif