Crystallography Open Database

Information card for entry 7059357

Preview

Coordinates	7059357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H34 Cl2 Cu2 N10 O10
Calculated formula	C48 H34 Cl2 Cu2 N10 O10
Title of publication	Tuned structure and DNA binding properties of metal complexes based on a new 4-acylpyrazolone derivative
Authors of publication	Xi, Wei; Song, Fu-Qiang; Xia, Xue-Li; Song, Xue-Qin
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	6
Pages of publication	2281 - 2290
a	8.5903 ± 0.001 Å
b	11.9318 ± 0.0012 Å
c	13.5523 ± 0.0011 Å
α	74.564 ± 0.008°
β	84.335 ± 0.008°
γ	71.586 ± 0.01°
Cell volume	1270.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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