Crystallography Open Database

Information card for entry 7251433

Preview

Coordinates	7251433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H20 Cl2 Cu2 N2 O7
Calculated formula	C29 H20 Cl2 Cu2 N2 O7
Title of publication	A Preformed 1‐D {CuII2}n Helical Chain as Precursor to a Decanuclear 0-D {CuII8MnII2} Cluster: Synthesis, Structure and Magnetism
Authors of publication	Pantelis, Konstantinos; Alexandropoulos, Dimitris I.; Escuer, Albert; Kostakis, George E.; Stamatatos, Theocharis C.
Journal of publication	CrystEngComm
Year of publication	2026
a	12.8851 ± 0.0004 Å
b	13.6763 ± 0.0004 Å
c	14.8823 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2622.57 ± 0.14 Å³
Cell temperature	102 ± 4 K
Ambient diffraction temperature	102 ± 4 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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