Crystallography Open Database

Information card for entry 7709576

Preview

Coordinates	7709576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H43 Li N2 O Si3
Calculated formula	C21 H43 Li N2 O Si3
SMILES	[Si](C)(C)(C)C1([Si](C)(C)C)[Si](C)(C)C[N]2(C)Cc3[n](cccc3)[Li]12[O]1CCCC1
Title of publication	Trisyl-based multidentate ligands: synthesis and their transition-metal complexes
Authors of publication	Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.1787 ± 0.0002 Å
b	16.4316 ± 0.0004 Å
c	31.9451 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5342.9 ± 0.2 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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

Revision	Date	Message	Files
273037 (current)	2022-02-19	cif/ Adding structures of 7709567, 7709568, 7709569, 7709570, 7709571, 7709572, 7709573, 7709574, 7709575, 7709576, 7709577, 7709578 via cif-deposit CGI script.	7709576.cif