Crystallography Open Database

Information card for entry 7229211

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Coordinates	7229211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H48 Cl8 O12 Si8
Calculated formula	C24 H48 Cl8 O12 Si8
Title of publication	Solid-state dynamics and single-crystal to single-crystal structural transformations in octakis(3-chloropropyl)octasilsesquioxane and octavinyloctasilsesquioxane.
Authors of publication	Kowalewska, Anna; Nowacka, Maria; Włodarska, Magdalena; Zgardzinska, B.; Zaleski, Radosław; Oszajca, Marcin; Krajenta, Justyna; Kazmierski, Slawomir
Journal of publication	Phys. Chem. Chem. Phys.
Year of publication	2017
a	10.3481 ± 0.0004 Å
b	10.4361 ± 0.0004 Å
c	12.1092 ± 0.0004 Å
α	87.083 ± 0.008°
β	77.106 ± 0.005°
γ	81.234 ± 0.007°
Cell volume	1259.66 ± 0.09 Å³
Cell temperature	383 K
Ambient diffraction temperature	383 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1495
Residual factor for significantly intense reflections	0.0988
Weighted residual factors for all reflections	0.0684
Weighted residual factors for significantly intense reflections	0.0626
Goodness-of-fit parameter for all reflections	1.44
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201023 (current)	2017-09-19	cif/ Adding structures of 7229210, 7229211 via cif-deposit CGI script.	7229211.cif