Crystallography Open Database

Information card for entry 7242248

Preview

Coordinates	7242248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 N10 O2 Zn2
Calculated formula	C22 H34 N10 O2 Zn2
SMILES	[Zn]123([NH](Cc4c([O]1[Zn]15([O]2c2c(C[NH]1CC[N]5(C)C)cccc2)N=N#N)cccc4)CC[N]3(C)C)N=N#N
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	8.3694 ± 0.0013 Å
b	11.2558 ± 0.0018 Å
c	15.878 ± 0.003 Å
α	104.975 ± 0.004°
β	101.287 ± 0.004°
γ	97.972 ± 0.004°
Cell volume	1388.5 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1628
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
263726 (current)	2021-04-05	cif/ Updating files of 7242247, 7242248 Original log message: Adding full bibliography for 7242247--7242248.cif.	7242248.cif
261787	2021-02-05	cif/ Adding structures of 7242247, 7242248 via cif-deposit CGI script.	7242248.cif