Crystallography Open Database

Information card for entry 7063590

Preview

Coordinates	7063590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59.98 H84 Cu2 N4 O4
Calculated formula	C59.9798 H84 Cu2 N4 O4
Title of publication	Neutral self-assembly of dinuclear copper(ii) metallacycles derived from Schiff base ligands: synthesis, characterization and catalysis
Authors of publication	Jain, Isha; Rohini,; Jain, Ravish Kumar; Devi, Sudha; Malik, Payal
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	3
Pages of publication	951 - 958
a	17.163 ± 0.0009 Å
b	21.2607 ± 0.0011 Å
c	18.3542 ± 0.001 Å
α	90°
β	111.948 ± 0.002°
γ	90°
Cell volume	6212 ± 0.6 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0773
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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