Crystallography Open Database

Information card for entry 7241160

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Structure parameters

Formula	C50 H56 N16 O8 Zn4
Calculated formula	C50 H56 N16 O8 Zn4
Title of publication	Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study
Authors of publication	Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak
Journal of publication	CrystEngComm
Year of publication	2020
a	15.2249 ± 0.0012 Å
b	15.4358 ± 0.0013 Å
c	24.04 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5649.6 ± 0.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.0677
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.228
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7241160.cif
255790	2020-09-02	cif/ Adding structures of 7241159, 7241160, 7241161 via cif-deposit CGI script.	7241160.cif