Crystallography Open Database

Information card for entry 7059358

Preview

Coordinates	7059358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H50 Cu2 N10 O14
Calculated formula	C52 H50 Cu2 N10 O14
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	10.714 ± 0.0005 Å
b	11.3202 ± 0.0006 Å
c	11.9538 ± 0.0007 Å
α	114.677 ± 0.006°
β	91.405 ± 0.004°
γ	102.244 ± 0.004°
Cell volume	1276.96 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7059358.html