Crystallography Open Database

Information card for entry 7715643

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Coordinates	7715643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 K2 Ni O
Calculated formula	C30 H28 K2 Ni O
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	12.46834 ± 0.00019 Å
b	9.88563 ± 0.00016 Å
c	20.5241 ± 0.0003 Å
α	90°
β	93.8253 ± 0.0014°
γ	90°
Cell volume	2524.11 ± 0.07 Å³
Cell temperature	173.01 ± 0.1 K
Ambient diffraction temperature	173.01 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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