Crystallography Open Database

Information card for entry 1556614

Preview

Coordinates	1556614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H76 Si11
Calculated formula	C32 H76 Si11
SMILES	[Si]12([Si]34[Si]5([Si]14[Si]1([Si]3([Si]51C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(CCC2([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
Title of publication	Transformative Si8R8 Siliconoids
Authors of publication	Akasaka, N.; Ishida, S.; Iwamoto, T.
Journal of publication	Inorganics
Year of publication	2018
Journal volume	6
Pages of publication	107
a	11.3287 ± 0.0013 Å
b	17.976 ± 0.002 Å
c	46.325 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	9433.8 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0482
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
245251 (current)	2019-12-17	cif/ Adding structures of 1556614 via cif-deposit CGI script.	1556614.cif