Crystallography Open Database

Information card for entry 7239347

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Structure parameters

Common name	Complex 6
Formula	C27 H24 N4 O2 S Zn
Calculated formula	C27 H24 N4 O2 S Zn
Title of publication	Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly
Authors of publication	Jena, Himanshu Sekhar
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	6
Pages of publication	3028
a	24.6911 ± 0.0018 Å
b	10.2087 ± 0.0008 Å
c	20.4419 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	5152.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7239347.cif
244662	2019-11-28	cif/ Adding structures of 7239342, 7239343, 7239344, 7239345, 7239346, 7239347 via cif-deposit CGI script.	7239347.cif