Crystallography Open Database

Information card for entry 4348194

Preview

Coordinates	4348194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Cl2 Hg N6 O4
Calculated formula	C36 H30 Cl2 Hg N6 O4
SMILES	c1[n](ccn1CCCN1C(=O)c2cccc3c2c(ccc3)C1=O)[Hg]([n]1cn(cc1)CCCN1C(=O)c2cccc3c2c(ccc3)C1=O)(Cl)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	14.7824 ± 0.0003 Å
b	12.0395 ± 0.0003 Å
c	19.7994 ± 0.0005 Å
α	90°
β	104.923 ± 0.002°
γ	90°
Cell volume	3404.91 ± 0.14 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	0.0935
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
232814 (current)	2019-11-23	cif/ Adding structures of 4348194 via cif-deposit CGI script.	4348194.cif