Crystallography Open Database

Information card for entry 7251864

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Coordinates	7251864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Cu N4 O6
Calculated formula	C18 H22 Cu N4 O6
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	29.7157 ± 0.0012 Å
b	9.7356 ± 0.0004 Å
c	13.7443 ± 0.0006 Å
α	90°
β	109.119 ± 0.001°
γ	90°
Cell volume	3756.9 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0275
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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