Crystallography Open Database

Information card for entry 7708949

Preview

Coordinates	7708949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H84 Li4 O4 Si4
Calculated formula	C68 H84 Li4 O4 Si4
SMILES	[Si](CC([O]12[Li]3[O]4(C(c5ccccc5)(c5ccccc5)C[Si](C)(C)C)[Li]5[O](C(c6ccccc6)(c6ccccc6)C[Si](C)(C)C)([Li]14)[Li]2[O]35C(c1ccccc1)(c1ccccc1)C[Si](C)(C)C)(c1ccccc1)c1ccccc1)(C)(C)C
Title of publication	A Monomeric (Trimethylsilyl)methyl Lithium Complex: Synthesis, Structure, Decomposition and Preliminary Reactivity Studies New Talent: Europe themed issue of Dalton Transactions
Authors of publication	Davison, Nathan; Waddell, Paul G.; Dixon, Casey; Wills, Corinne; Penfold, Thomas; Lu, Erli
Journal of publication	Dalton Transactions
Year of publication	2021
a	12.7436 ± 0.0002 Å
b	22.0133 ± 0.0003 Å
c	23.1214 ± 0.0004 Å
α	90°
β	94.591 ± 0.001°
γ	90°
Cell volume	6465.4 ± 0.18 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 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	0.0726
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.134
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270894 (current)	2021-11-27	cif/ Adding structures of 7708948, 7708949, 7708950, 7708951 via cif-deposit CGI script.	7708949.cif