Crystallography Open Database

Information card for entry 7021065

Preview

Coordinates	7021065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 Cu N5 O4
Calculated formula	C18 H19 Cu N5 O4
Title of publication	From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.
Authors of publication	Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	17
Pages of publication	6119 - 6130
a	8.8187 ± 0.0003 Å
b	24.144 ± 0.001 Å
c	8.9808 ± 0.0003 Å
α	90°
β	110.342 ± 0.002°
γ	90°
Cell volume	1792.93 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.181
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
179915 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/10.	7021065.cif
86020	2013-05-09	cif/ Adding structures of 7021056, 7021057, 7021058, 7021059, 7021060, 7021061, 7021062, 7021063, 7021064, 7021065 via cif-deposit CGI script.	7021065.cif