Crystallography Open Database

Information card for entry 1557192

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Coordinates	1557192.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis-{N-[(2-pyrrolyl)methylidene]-N'-tosylbenzene-1,2-diaminato}zinc(II)
Formula	C36 H32 N6 O4 S2 Zn
Calculated formula	C36 N6 O4 S2 Zn
SMILES	S(=O)(=O)(c1ccc(cc1)C)N1c2ccccc2[N]([Zn]21[N](c1c(cccc1)N2S(=O)(=O)c1ccc(cc1)C)=Cc1[nH]ccc1)=Cc1[nH]ccc1
Title of publication	Electrochemical Synthesis of Zinc and Cadmium Complexes with N-[(2-pyrrolyl)methylidyne]-N'-tosylbenzene-1,2-diamine. The Crystal Structure of Bis-{N-[(2-pyrrolyl)methylidene]-N'-tosylbenzene-1,2-diaminato}zinc(II)
Authors of publication	Romero, Jaime; Garcia-Vazquez, Jose A.; Duran, Maria L.; Castineiras, Alfonso; Sousa, Antonio; Garnovskii, Alexander D.; Garnovskii, D. A.
Journal of publication	Acta Chemica Scandinavica
Year of publication	1997
Journal volume	51
Pages of publication	672 - 675
a	21.811 ± 0.007 Å
b	11.523 ± 0.002 Å
c	14.063 ± 0.004 Å
α	90°
β	98.64 ± 0.02°
γ	90°
Cell volume	3494.3 ± 1.6 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.057
Goodness-of-fit parameter for all reflections included in the refinement	3.52
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247378 (current)	2020-01-30	cif/ Adding structures of 1557192 via cif-deposit CGI script.	1557192.cif