Crystallography Open Database

Information card for entry 7701877

Preview

Coordinates	7701877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Cl2 Cu N2 O2
Calculated formula	C14 H14 Cl2 Cu N2 O2
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	7.5026 ± 0.0008 Å
b	7.5541 ± 0.0009 Å
c	8.0228 ± 0.001 Å
α	98.797 ± 0.01°
β	110.504 ± 0.011°
γ	109.976 ± 0.01°
Cell volume	380.59 ± 0.1 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297.15 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	0.0476
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	7701877.cif