Crystallography Open Database

Information card for entry 7701874

Preview

Coordinates	7701874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Cl4 Cu4 N4 O6
Calculated formula	C30 H32 Cl4 Cu4 N4 O6
Title of publication	Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties
Authors of publication	Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel
Journal of publication	Dalton Transactions
Year of publication	2019
a	8.81004 ± 0.0002 Å
b	8.81004 ± 0.0002 Å
c	48.3804 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3755.13 ± 0.16 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297.15 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0748
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.196
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

Version history

Revision	Date	Message	Files
227637 (current)	2019-11-12	cif/ Adding structures of 7701873, 7701874, 7701875, 7701876, 7701877, 7701878, 7701879, 7701880, 7701881, 7701882, 7701883 via cif-deposit CGI script.	7701874.cif