Crystallography Open Database

Information card for entry 2311368

Preview

Coordinates	2311368.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dibromido{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methylidene]picolinohydrazide-κ^2^<i>N</i>',<i>O</i>}cadmium methanol monosolvate
Formula	C13 H14 Br2 Cd N4 O2
Calculated formula	C13 H14 Br2 Cd N4 O2
SMILES	c1cccc2C=[N]3NC(c4ccccn4)=[O][Cd]3([n]12)(Br)Br.CO
Title of publication	Crystal structures of di-bromido-{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ<sup>2</sup><i>N</i>',<i>O</i>}cadmium methanol monosolvate and di-iodido{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ<sup>2</sup><i>N</i>',<i>O</i>}cadmium.
Authors of publication	Khandar, Ali Akbar; Afkhami, Farhad Akbari; Krautscheid, Harald; Kristoffersen, Kenneth Aase; Atioğlu, Zeliha; Akkurt, Mehmet; Görbitz, Carl Henrik
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 5
Pages of publication	698 - 701
a	7.5482 ± 0.0004 Å
b	15.7571 ± 0.0008 Å
c	14.6407 ± 0.0006 Å
α	90°
β	95.132 ± 0.004°
γ	90°
Cell volume	1734.35 ± 0.15 Å³
Cell temperature	130 ± 0.1 K
Ambient diffraction temperature	130 ± 0.1 K
Number of distinct elements	6
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	0.0486
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245831 (current)	2019-12-25	cif/ Adding structures of 2311368, 2311369 via cif-deposit CGI script.	2311368.cif