Crystallography Open Database

Information card for entry 4349615

Preview

Coordinates	4349615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Cl2 N2 O2 Zn
Calculated formula	C18 H12 Cl2 N2 O2 Zn
SMILES	[Zn]1(Cl)(Cl)[O]=C2N(Cc3[n]1cccc3)C(=O)c1cccc3cccc2c13
Title of publication	Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours
Authors of publication	Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	2
Pages of publication	296
a	7.3139 ± 0.0002 Å
b	8.5996 ± 0.0003 Å
c	14.4546 ± 0.0005 Å
α	94.943 ± 0.001°
β	102.033 ± 0.001°
γ	113.978 ± 0.001°
Cell volume	797.44 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.0546
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
234919 (current)	2019-11-23	cif/ Adding structures of 4349612, 4349613, 4349614, 4349615, 4349616, 4349617, 4349618, 4349619, 4349620, 4349621, 4349622 via cif-deposit CGI script.	4349615.cif