Crystallography Open Database

Information card for entry 4507271

Preview

Coordinates	4507271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Cu2 N16 O
Calculated formula	C14 H12 Cu2 N16 O
Title of publication	Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine
Authors of publication	Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	1
Pages of publication	270
a	8.1979 ± 0.0008 Å
b	10.6608 ± 0.0009 Å
c	11.2985 ± 0.0011 Å
α	90.149 ± 0.007°
β	96.531 ± 0.008°
γ	100.772 ± 0.007°
Cell volume	963.46 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179608 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/72.	4507271.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507271.cif
73880	2013-02-21	cif/ Adding structures of 4507271 via cif-deposit CGI script.	4507271.cif