Crystallography Open Database

Information card for entry 7712094

7712093 << 7712094 >> 7712095

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Coordinates	7712094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H70 Li4 Ni2 O4
Calculated formula	C54 H70 Li4 Ni2 O4
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	15.10128 ± 0.00007 Å
b	32.5388 ± 0.00015 Å
c	20.86994 ± 0.00009 Å
α	90°
β	94.9245 ± 0.0004°
γ	90°
Cell volume	10217.2 ± 0.08 Å³
Cell temperature	173.01 ± 0.1 K
Ambient diffraction temperature	173.01 ± 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	0.036
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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

Version history

Revision	Date	Message	Files
283323 (current)	2023-05-05	cif/ Updating files of 7712094, 7712095, 7712096, 7712097, 7712098, 7712099, 7712100 Original log message: Adding full bibliography for 7712094--7712100.cif.	7712094.cif
280293	2023-01-12	cif/ Adding structures of 7712094, 7712095, 7712096, 7712097, 7712098, 7712099, 7712100 via cif-deposit CGI script.	7712094.cif