Crystallography Open Database

Information card for entry 7715653

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Coordinates	7715653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H40 D24 Li Ni2 O6 P3
Calculated formula	C63 H40 D24 Li Ni2 O6 P3
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	11.8167 ± 0.0001 Å
b	12.2478 ± 0.0001 Å
c	22.2521 ± 0.0001 Å
α	93.075 ± 0.001°
β	90.738 ± 0.001°
γ	111.029 ± 0.001°
Cell volume	2999.91 ± 0.04 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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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