Crystallography Open Database

Information card for entry 4132239

Preview

Coordinates	4132239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H44 Si6
Calculated formula	C32 H44 Si6
SMILES	c1(ccccc1)[Si]1(c2ccccc2)[Si](C)(C)[Si](c2ccccc2)(c2ccccc2)[Si](C)(C)[Si](C)(C)[Si]1(C)C
Title of publication	Directional Building Blocks Determine Linear and Cyclic Silicon Architectures.
Authors of publication	Marro, Eric A.; Press, Eric M.; Siegler, Maxime A.; Klausen, Rebekka S.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	18
Pages of publication	5976 - 5986
a	19.3814 ± 0.0003 Å
b	16.8448 ± 0.0003 Å
c	21.1946 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6919.52 ± 0.19 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
242240 (current)	2019-11-26	cif/ Adding structures of 4132239 via cif-deposit CGI script.	4132239.cif