Crystallography Open Database

Information card for entry 7715642

Preview

Coordinates	7715642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H76 Li4 N4 Ni2 O2
Calculated formula	C50 H76 Li4 N4 Ni2 O2
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 (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	19
Pages of publication	8382 - 8390
a	10.9424 ± 0.0001 Å
b	20.8208 ± 0.0002 Å
c	22.7 ± 0.0002 Å
α	90°
β	95.733 ± 0.001°
γ	90°
Cell volume	5145.86 ± 0.08 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	6
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	0.0419
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
293055 (current)	2024-07-05	cif/ Updating files of 7715639, 7715640, 7715641, 7715642, 7715643, 7715644, 7715645, 7715646, 7715647, 7715648, 7715649, 7715650, 7715651, 7715652, 7715653, 7715654, 7715655 Original log message: Adding full bibliography for 7715639--7715655.cif.	7715642.cif
290766	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.	7715642.cif