Crystallography Open Database

Information card for entry 7715143

Preview

Coordinates	7715143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H78 Li6 O6
Calculated formula	C108 H78 Li6 O6
SMILES	[O]12(C(=C)c3c4ccccc4cc4ccccc34)[Li]3[O]4(C(=C)c5c6ccccc6cc6ccccc56)[Li]5[O]6(C(=C)c7c8ccccc8cc8ccccc78)[Li]1[O]1(C(=C)c7c8ccccc8cc8ccccc78)[Li]6[O]5(C(=C)c5c6ccccc6cc6ccccc56)[Li]4[O]3(C(=C)c3c4ccccc4cc4ccccc34)[Li]21.c1ccccc1.c1ccccc1
Title of publication	Lithium, sodium and potassium enolate aggregates and monomers: syntheses and structures.
Authors of publication	Davison, Nathan; Hemingway, Jack M.; Waddell, Paul G.; Lu, Erli
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	10
Pages of publication	4719 - 4728
a	19.4816 ± 0.0005 Å
b	16.7761 ± 0.0004 Å
c	25.2397 ± 0.0006 Å
α	90°
β	96.189 ± 0.002°
γ	90°
Cell volume	8200.9 ± 0.3 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
290923 (current)	2024-04-05	cif/ Updating files of 7715143, 7715144, 7715145, 7715146, 7715147 Original log message: Adding full bibliography for 7715143--7715147.cif.	7715143.cif
289798	2024-02-13	cif/ Adding structures of 7715143, 7715144, 7715145, 7715146, 7715147 via cif-deposit CGI script.	7715143.cif