Crystallography Open Database

Information card for entry 7715651

Preview

Coordinates	7715651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H62 K2 Ni O8
Calculated formula	C52 H62 K2 Ni O8
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	18.7188 ± 0.0003 Å
b	26.1144 ± 0.0005 Å
c	19.8447 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9700.7 ± 0.3 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
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.	7715651.cif