Crystallography Open Database

Information card for entry 7231233

Preview

Coordinates	7231233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H13 Cl N2 O2
Calculated formula	C18 H13 Cl N2 O2
Title of publication	Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence
Authors of publication	Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	33
Pages of publication	4875
a	7.3112 ± 0.0007 Å
b	7.7033 ± 0.0007 Å
c	13.0401 ± 0.0012 Å
α	79.183 ± 0.003°
β	86.649 ± 0.003°
γ	88.692 ± 0.003°
Cell volume	720.09 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0478
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
228945 (current)	2019-11-17	cif/ Updating files of 7231232, 7231233, 7231234, 7231235, 7231236, 7231237, 7231238, 7231239, 7231240, 7231241 Original log message: Adding full bibliography for 7231232--7231241.cif.	7231233.cif
209248	2018-07-25	cif/ Adding structures of 7231232, 7231233, 7231234, 7231235, 7231236, 7231237, 7231238, 7231239, 7231240, 7231241 via cif-deposit CGI script.	7231233.cif