Crystallography Open Database

Information card for entry 7716116

Preview

Coordinates	7716116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H51 K N2
Calculated formula	C37 H51 K N2
SMILES	[K]1[N](=C(C=C(N1c1c(C(C)C)cccc1C(C)C)CC)CC)c1c(cccc1C(C)C)C(C)C.c1ccccc1
Title of publication	Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.
Authors of publication	Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	23
Pages of publication	9887 - 9895
a	11.5987 ± 0.0004 Å
b	15.6955 ± 0.0005 Å
c	18.1851 ± 0.0007 Å
α	90°
β	93.499 ± 0.003°
γ	90°
Cell volume	3304.4 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
293128 (current)	2024-07-05	cif/ Updating files of 7716105, 7716106, 7716107, 7716108, 7716109, 7716110, 7716111, 7716112, 7716113, 7716114, 7716115, 7716116 Original log message: Adding full bibliography for 7716105--7716116.cif.	7716116.cif
291973	2024-05-22	cif/ Adding structures of 7716105, 7716106, 7716107, 7716108, 7716109, 7716110, 7716111, 7716112, 7716113, 7716114, 7716115, 7716116 via cif-deposit CGI script.	7716116.cif