Crystallography Open Database

Information card for entry 7063667

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Coordinates	7063667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 N2 Ni O5
Calculated formula	C24 H30 N2 Ni O5
Title of publication	Impact of isomeric ligands on molecular stacking and semiconducting behavior in square planar Ni(ii) complexes
Authors of publication	Jana, Narayan Ch.; Das, Mainak; Brandão, Paula; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim; Panja, Anangamohan
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	11
Pages of publication	4557 - 4570
a	11.3463 ± 0.0007 Å
b	16.1675 ± 0.0009 Å
c	24.1553 ± 0.0015 Å
α	90°
β	91.281 ± 0.002°
γ	90°
Cell volume	4430 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 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	0.0555
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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