Crystallography Open Database

Information card for entry 7715645

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Coordinates	7715645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 K O8
Calculated formula	C36 H52 K 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	23.1162 ± 0.0001 Å
b	13.7536 ± 0.0001 Å
c	11.4511 ± 0.0001 Å
α	90°
β	96.574 ± 0.001°
γ	90°
Cell volume	3616.72 ± 0.04 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
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	0.0271
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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

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