Crystallography Open Database

Information card for entry 1504440

Preview

Coordinates	1504440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H50 B20 O Si2
Calculated formula	C16 H50 B20 O Si2
Title of publication	Carboranyl Substituted Siloxanes and Octasilsesquioxanes: Synthesis, Characterization, and Reactivity
Authors of publication	González-Campo, Arántzazu; Juárez-Pérez, Emilio José; Viñas, Clara; Boury, Bruno; Sillanpää, Reijo; Kivekäs, Raikko; Núñez, Rosario
Journal of publication	Macromolecules
Year of publication	2008
Journal volume	41
Journal issue	22
Pages of publication	8458
a	10.1206 ± 0.0006 Å
b	7.6885 ± 0.0003 Å
c	22.513 ± 0.0013 Å
α	90°
β	102.546 ± 0.002°
γ	90°
Cell volume	1709.96 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1261
Residual factor for significantly intense reflections	0.1091
Weighted residual factors for significantly intense reflections	0.2432
Weighted residual factors for all reflections included in the refinement	0.2508
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation probe	x-ray
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
176729 (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 1.	1504440.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504440.cif
42053	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504440 via cif-deposit CGI script.	1504440.cif