Crystallography Open Database

Information card for entry 4348199

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Structure parameters

Formula	C38 H30 N8 O4 S2 Zn
Calculated formula	C38 H30 N8 O4 S2 Zn
SMILES	c1[n](ccn1CCCN1C(=O)c2cccc3c2c(ccc3)C1=O)[Zn]([n]1cn(cc1)CCCN1C(=O)c2cccc3c2c(ccc3)C1=O)(N=C=S)N=C=S
Title of publication	Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties
Authors of publication	Nath, Jayanta Kumar; Baruah, Jubaraj B.
Journal of publication	Inorg. Chem. Front.
Year of publication	2014
Journal volume	1
Journal issue	4
Pages of publication	342
a	14.5214 ± 0.0004 Å
b	14.1478 ± 0.0005 Å
c	22.8454 ± 0.0008 Å
α	90°
β	128.618 ± 0.002°
γ	90°
Cell volume	3667.1 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4348199.cif
232819	2019-11-23	cif/ Adding structures of 4348199 via cif-deposit CGI script.	4348199.cif