Crystallography Open Database

Information card for entry 4348196

Preview

Coordinates	4348196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Cl2 N6 O4 Zn
Calculated formula	C36 H30 Cl2 N6 O4 Zn
SMILES	c1[n](ccn1CCCN1C(=O)c2cccc3c2c(ccc3)C1=O)[Zn](Cl)([n]1cn(cc1)CCCN1C(=O)c2cccc3c2c(ccc3)C1=O)Cl
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	14.612 ± 0.0018 Å
b	11.8925 ± 0.0018 Å
c	19.488 ± 0.003 Å
α	90°
β	104.612 ± 0.011°
γ	90°
Cell volume	3277 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0627
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
232816 (current)	2019-11-23	cif/ Adding structures of 4348196 via cif-deposit CGI script.	4348196.cif