Crystallography Open Database

Information card for entry 8000100

Preview

Coordinates	8000100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H152 Si16
Calculated formula	C65 H152 Si16
SMILES	[Si]12([Si]3([Si@@]4([Si@]5([Si]([Si]([Si@]5([Si@@]4([Si]3([Si]1([Si@]1([Si@@]3([Si]([Si]([Si@@]3([Si@@]21C(C)C)C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C.CCCCC
Title of publication	Hexa-, Hepta-, and Octacyclic Ladder Polysilanes
Authors of publication	Kyushin, Soichiro; Ueta, Yoshinori; Tanaka, Ryoji; Matsumoto, Hideyuki
Journal of publication	Chemistry Letters
Year of publication	2006
Journal volume	35
Journal issue	2
Pages of publication	182
a	11.1272 ± 0.0009 Å
b	20.072 ± 0.001 Å
c	21.295 ± 0.002 Å
α	103.002 ± 0.008°
β	103.312 ± 0.008°
γ	76.488 ± 0.008°
Cell volume	4426 ± 0.6 Å³
Cell temperature	153 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 significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.246
Goodness-of-fit parameter for all reflections included in the refinement	1.65
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000100.cif
94254	2014-01-22	cif/ Adding structures of 8000099, 8000100, 8000101 via cif-deposit CGI script.	8000100.cif