Crystallography Open Database

Information card for entry 8000099

Preview

Structure parameters

Formula	C54 H126 Si14
Calculated formula	C54 H126 Si14
SMILES	[Si]12([Si@]3([Si@@]4([Si]([Si]([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
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	19.5865 ± 0.0005 Å
b	19.747 ± 0.0007 Å
c	42.535 ± 0.001 Å
α	90°
β	90.973 ± 0.001°
γ	90°
Cell volume	16449.1 ± 0.8 Å³
Cell temperature	273 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.208
Goodness-of-fit parameter for all reflections included in the refinement	2.91
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
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8000099.cif
176728	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.	8000099.cif
94254	2014-01-22	cif/ Adding structures of 8000099, 8000100, 8000101 via cif-deposit CGI script.	8000099.cif