Crystallography Open Database

Information card for entry 7715647

Preview

Coordinates	7715647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H69 Li2 Ni O6
Calculated formula	C56 H69 Li2 Ni O6
Title of publication	The coordination of alkali-metal nickelates to organic π-systems: Synthetic, structural and spectroscopic insights
Authors of publication	Borys, Andryj M.; Vedani, Luca; Hevia, Eva
Journal of publication	Dalton Transactions
Year of publication	2024
a	17.808 ± 0.0004 Å
b	13.0662 ± 0.0002 Å
c	22.5123 ± 0.0004 Å
α	90°
β	111.093 ± 0.002°
γ	90°
Cell volume	4887.25 ± 0.17 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 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	0.0697
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290766 (current)	2024-04-04	cif/ Adding structures of 7715639, 7715640, 7715641, 7715642, 7715643, 7715644, 7715645, 7715646, 7715647, 7715648, 7715649, 7715650, 7715651, 7715652, 7715653, 7715654, 7715655 via cif-deposit CGI script.	7715647.cif