Crystallography Open Database

Information card for entry 7701873

Preview

Coordinates	7701873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 Cl2 Cu N2 O3
Calculated formula	C9 H12 Cl2 Cu N2 O3
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	8.8843 ± 0.0004 Å
b	14.8928 ± 0.0005 Å
c	10.1346 ± 0.0004 Å
α	90°
β	111.485 ± 0.005°
γ	90°
Cell volume	1247.75 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	7701873.cif