Crystallography Open Database

Information card for entry 7251858

Preview

Coordinates	7251858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15.5 H22 Cl2 N4 Ni O1.5
Calculated formula	C15.5 H22 Cl2 N4 Ni O1.5
Title of publication	Dipyridinophane ligands – synthesis and coordination study
Authors of publication	Kuncová, Lucie; Lazarová, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr
Journal of publication	RSC Advances
Year of publication	2026
Journal volume	16
Journal issue	20
Pages of publication	18220 - 18231
a	8.5884 ± 0.0005 Å
b	28.5181 ± 0.0017 Å
c	29.1373 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	7136.4 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0204
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0531
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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