Crystallography Open Database

Information card for entry 7701876

Preview

Coordinates	7701876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H9 Cu N3 O3
Calculated formula	C10 H9 Cu N3 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	8.6356 ± 0.0003 Å
b	9.5813 ± 0.0003 Å
c	13.5642 ± 0.0004 Å
α	90°
β	106.101 ± 0.003°
γ	90°
Cell volume	1078.28 ± 0.06 Å³
Cell temperature	297.15 K
Ambient diffraction temperature	297.15 K
Number of distinct elements	5
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	0.0479
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	7701876.cif