Crystallography Open Database

Information card for entry 7246328

Preview

Coordinates	7246328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H40 Cd N12 O16
Calculated formula	C60 H40 Cd N12 O16
SMILES	[Cd]123([O]=C4N([NH2]2)C(=O)c2c5c4cccc5ccc2)([O]=C2N([NH2]1)C(=O)c1c4c2cccc4ccc1)(ON(=O)=O)[O]=C1N([NH2]3)C(=O)c2c3c1cccc3ccc2.O=C1N(N)C(=O)c2c3c1cccc3ccc2.O=C1N(N)C(=O)c2c3c1cccc3ccc2.N(=O)(=O)[O-]
Title of publication	Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide
Authors of publication	Sendh, Jagajiban; Baruah, Jubaraj B.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	13
Pages of publication	1928 - 1940
a	13.2629 ± 0.0007 Å
b	14.3481 ± 0.0008 Å
c	16.6357 ± 0.001 Å
α	96.631 ± 0.005°
β	104.242 ± 0.005°
γ	116.913 ± 0.005°
Cell volume	2640.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1098
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1784
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
282322 (current)	2023-04-04	cif/ Updating files of 7246323, 7246324, 7246325, 7246326, 7246327, 7246328 Original log message: Adding full bibliography for 7246323--7246328.cif.	7246328.cif
281118	2023-02-24	cif/ Adding structures of 7246323, 7246324, 7246325, 7246326, 7246327, 7246328 via cif-deposit CGI script.	7246328.cif