Crystallography Open Database

Information card for entry 2019125

2019124 << 2019125 >> 2019126

Preview

Coordinates	2019125.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iodidocopper(II)
Formula	C15 H15 Cu I N2 O2
Calculated formula	C15 H15 Cu I N2 O2
SMILES	[Cu]12(I)(OC(=CC(=[O]1)C)C)[n]1ccccc1c1[n]2cccc1
Title of publication	(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iodidocopper(II): a compound with two molecules in the asymmetric unit due to different π‒π interactions
Authors of publication	Diniz, Lorrane; Carvalho, Sandra; Borges, Ruth H. U.; Rodrigues, Bernardo L.
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	9
Pages of publication	1010 - 1012
a	8.1171 ± 0.0002 Å
b	11.4659 ± 0.0002 Å
c	18.134 ± 0.0004 Å
α	84.99 ± 0.002°
β	80.12 ± 0.002°
γ	76.538 ± 0.002°
Cell volume	1615.04 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0511
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2019125.cif
88607	2013-10-02	cif/ Adding structures of 2019125 via cif-deposit CGI script.	2019125.cif