Crystallography Open Database

Information card for entry 7131730

Preview

Coordinates	7131730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H45 N4 Na Si
Calculated formula	C22 H45 N4 Na Si
SMILES	[Si]([CH-]c1ccccc1)(C)(C)C.[Na]123[N](CC[N]3(CC[N]1(C)C)CC[N]2(C)C)(C)C
Title of publication	Monomeric lithium and sodium silylbenzyl complexes: syntheses, structures, and CO bond olefination.
Authors of publication	Barker, Jordan; Davison, Nathan; Waddell, Paul G.; Lu, Erli
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	52
Pages of publication	8083 - 8086
a	14.0881 ± 0.0006 Å
b	9.606 ± 0.0004 Å
c	20.0799 ± 0.0008 Å
α	90°
β	102.389 ± 0.004°
γ	90°
Cell volume	2654.14 ± 0.19 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	0.0428
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
284841 (current)	2023-07-05	cif/ Updating files of 7131729, 7131730 Original log message: Adding full bibliography for 7131729--7131730.cif.	7131730.cif
284070	2023-05-31	cif/ Adding structures of 7131729, 7131730 via cif-deposit CGI script.	7131730.cif