Crystallography Open Database

Information card for entry 7050568

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Structure parameters

Formula	C35 H26 Cl2 N6
Calculated formula	C35 H26 Cl2 N6
SMILES	n1c2ccccc2ccc1C=NN=C(C(=NN=Cc1ccc2ccccc2n1)c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	The synthesis and characterization of a series of bis-bidentate Schiff base ligands and their coordination complexes with silver(i), copper(i) and zinc(ii) d10 metal ionsElectronic supplementary information (ESI) available: Views of the crystal structures of ligands of 1, 2 and 3. See http://www.rsc.org/suppdata/nj/b3/b301632c/
Authors of publication	Patra, Goutam Kumar; Goldberg, Israel
Journal of publication	New Journal of Chemistry
Year of publication	2003
Journal volume	27
Journal issue	7
Pages of publication	1124
a	9.737 ± 0.0001 Å
b	11.435 ± 0.0002 Å
c	14.962 ± 0.0003 Å
α	91.454 ± 0.0006°
β	102.707 ± 0.0007°
γ	112.455 ± 0.0013°
Cell volume	1490.79 ± 0.05 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0991
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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