Crystallography Open Database

Information card for entry 7715642

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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
Year of publication	2024
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

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