Crystallography Open Database

Information card for entry 1556615

Preview

Coordinates	1556615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.5 H136 Si16
Calculated formula	C65.5 H136 Si16
SMILES	C1(CCC([Si]21[Si]1(C(C)(C)C)[Si]34[Si]5([Si]6([Si]3([Si]5([Si]214)C(C)(C)C)C(C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)CCC6([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.c1(ccccc1)C.c1(ccccc1)C.c1(C)ccccc1
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	11.5327 ± 0.0018 Å
b	17.883 ± 0.003 Å
c	21.56 ± 0.003 Å
α	69.416 ± 0.002°
β	85.458 ± 0.002°
γ	76.379 ± 0.002°
Cell volume	4045.5 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.0461
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
245252 (current)	2019-12-17	cif/ Adding structures of 1556615 via cif-deposit CGI script.	1556615.cif