Crystallography Open Database

Information card for entry 7242561

Preview

Coordinates	7242561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H115 N25 Ni4 O8
Calculated formula	C70 H115 N25 Ni4 O8
Title of publication	Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands
Authors of publication	Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	18
Pages of publication	3371 - 3382
a	15.0146 ± 0.0011 Å
b	15.3326 ± 0.001 Å
c	18.7906 ± 0.0014 Å
α	106.124 ± 0.002°
β	106.924 ± 0.002°
γ	91.258 ± 0.002°
Cell volume	3950.7 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265985 (current)	2021-06-05	cif/ Updating files of 7242557, 7242558, 7242559, 7242560, 7242561, 7242562 Original log message: Adding full bibliography for 7242557--7242562.cif.	7242561.cif
263424	2021-03-30	cif/ Adding structures of 7242557, 7242558, 7242559, 7242560, 7242561, 7242562 via cif-deposit CGI script.	7242561.cif