Crystallography Open Database

Information card for entry 4075649

Preview

Coordinates	4075649.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 1
Formula	C91 H102 N2 Si8
Calculated formula	C91 H102 N2 Si8
SMILES	C(=N[Si](CC[Si](C)(c1ccccc1)c1ccccc1)(CC[Si](C)(c1ccccc1)c1ccccc1)CC[Si](C)(c1ccccc1)c1ccccc1)=N[Si](CC[Si](C)(c1ccccc1)c1ccccc1)(CC[Si](C)(c1ccccc1)c1ccccc1)CC[Si](C)(c1ccccc1)c1ccccc1
Title of publication	Neutral and Cationic Aluminum and Titanium Complexes Incorporating Sterically Demanding Organosilicon Ligands
Authors of publication	Amo, Virginia; Andrés, Román; de Jesús, Ernesto; de la Mata, F. Javier; Flores, Juan C.; Gómez, Rafael; Gómez-Sal, M. Pilar; Turner, John F. C.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	10
Pages of publication	2331
a	13.394 ± 0.003 Å
b	32.088 ± 0.003 Å
c	10.1033 ± 0.0019 Å
α	90°
β	101.743 ± 0.01°
γ	90°
Cell volume	4251.4 ± 1.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
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	0.1203
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1624
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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