Crystallography Open Database

Information card for entry 7712097

7712096 << 7712097 >> 7712098

Preview

Coordinates	7712097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H86 Li4 Ni2 O6
Calculated formula	C78 H86 Li4 Ni2 O6
Title of publication	Diphenylacetylene stabilised alkali-metal nickelates: synthesis, structure and catalytic applications.
Authors of publication	Borys, Andryj M.; Hevia, Eva
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	7
Pages of publication	2098 - 2105
a	24.15833 ± 0.00013 Å
b	11.80124 ± 0.00006 Å
c	25.58438 ± 0.00014 Å
α	90°
β	106.365 ± 0.0006°
γ	90°
Cell volume	6998.57 ± 0.07 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.185
Weighted residual factors for all reflections included in the refinement	0.1863
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7712097.html