Crystallography Open Database

Information card for entry 7108068

Preview

Coordinates	7108068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H88 Cl2 N4 Si
Calculated formula	C60 H88 Cl2 N4 Si
SMILES	Cl[SiH2](Cl)(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.CCCCCC
Title of publication	Lewis base mediated dismutation of trichlorosilane
Authors of publication	Amit Pratap Singh; Rajendra S. Ghadwal; Herbert W. Roesky; Julian J. Holstein; Birger Dittrich; Jean-Philippe Demers; Veniamin Chevelkov; Adam Lange
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	7574
a	12.9849 ± 0.0003 Å
b	20.5346 ± 0.0004 Å
c	21.2339 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5661.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections included in the refinement	3.905
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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