Crystallography Open Database

Information card for entry 7712098

7712097 << 7712098 >> 7712099

Preview

Coordinates	7712098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H78 Na4 Ni2 O6
Calculated formula	C62 H78 Na4 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	20.9102 ± 0.0002 Å
b	17.5645 ± 0.0001 Å
c	16.2357 ± 0.0001 Å
α	90°
β	90.281 ± 0.001°
γ	90°
Cell volume	5962.93 ± 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	0.0725
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.2015
Weighted residual factors for all reflections included in the refinement	0.2093
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	7712098.cif
280293	2023-01-12	cif/ Adding structures of 7712094, 7712095, 7712096, 7712097, 7712098, 7712099, 7712100 via cif-deposit CGI script.	7712098.cif