Crystallography Open Database

Information card for entry 7715640

Preview

Coordinates	7715640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H52 Li2 Ni O4
Calculated formula	C42 H52 Li2 Ni O4
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	23.83845 ± 0.00018 Å
b	10.06099 ± 0.00009 Å
c	31.2245 ± 0.0003 Å
α	90°
β	92.8991 ± 0.0008°
γ	90°
Cell volume	7479.25 ± 0.11 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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