Crystallography Open Database

Information card for entry 7242247

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Structure parameters

Formula	C26 H40 N4 O6 Zn2
Calculated formula	C26 H40 N4 O6 Zn2
Title of publication	Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain
Authors of publication	Karmakar, Mainak; Frontera, Antonio; Chattopadhyay, Shouvik
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	9
Pages of publication	1918 - 1928
a	13.157 ± 0.009 Å
b	11.92 ± 0.008 Å
c	19.644 ± 0.013 Å
α	90°
β	108.564 ± 0.018°
γ	90°
Cell volume	2920 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1389
Residual factor for significantly intense reflections	0.0884
Weighted residual factors for significantly intense reflections	0.2427
Weighted residual factors for all reflections included in the refinement	0.2866
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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.	7242247.cif
263726	2021-04-05	cif/ Updating files of 7242247, 7242248 Original log message: Adding full bibliography for 7242247--7242248.cif.	7242247.cif
261787	2021-02-05	cif/ Adding structures of 7242247, 7242248 via cif-deposit CGI script.	7242247.cif