Crystallography Open Database

Information card for entry 4084125

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Coordinates	4084125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.5 H44 O8 Si6
Calculated formula	C51.5 H44 O8 Si6
Title of publication	Synthesis and Properties of Phenylsilsesquioxanes with Ladder and Double-Decker Structures
Authors of publication	Endo, Hisayuki; Takeda, Nobuhiro; Unno, Masafumi
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	15
Pages of publication	4148
a	18.4206 ± 0.0011 Å
b	10.5744 ± 0.0007 Å
c	25.4029 ± 0.0017 Å
α	90 ± 0.0007°
β	90.4762 ± 0.0007°
γ	90 ± 0.0007°
Cell volume	4948 ± 0.6 Å³
Cell temperature	228.15 K
Ambient diffraction temperature	228.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.152
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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