Crystallography Open Database

Information card for entry 2311347

Preview

Coordinates	2311347.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis{<i>N</i>'-[(<i>E</i>)-4-hydroxybenzylidene]pyridine-4-carbohydrazide-κ<i>N</i>^1^}diiodidocadmium methanol disolvate
Formula	C28 H30 Cd I2 N6 O6
Calculated formula	C28 H30 Cd I2 N6 O6
SMILES	[Cd](I)(I)([n]1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)O)[n]1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)O.OC.CO
Title of publication	Crystal structure of bis-{<i>N</i>'-[(<i>E</i>)-4-hy-droxy-benzyl-idene]pyridine-4-carbohydrazide-κ<i>N</i><sup>1</sup>}di-iodidocadmium methanol disolvate.
Authors of publication	Afkhami, Farhad Akbari; Krautscheid, Harald; Atioğlu, Zeliha; Akkurt, Mehmet
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 1
Pages of publication	28 - 30
a	8.0245 ± 0.0004 Å
b	13.2482 ± 0.0009 Å
c	30.454 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3237.6 ± 0.3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	0.881
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
245814 (current)	2019-12-25	cif/ Adding structures of 2311347 via cif-deposit CGI script.	2311347.cif