Crystallography Open Database

Information card for entry 7231235

Preview

Coordinates	7231235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 Cl4 N4 O4 Zn
Calculated formula	C36 H26 Cl4 N4 O4 Zn
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	7.9049 ± 0.001 Å
b	14.7046 ± 0.0018 Å
c	14.5448 ± 0.0019 Å
α	102.479 ± 0.006°
β	100.932 ± 0.006°
γ	92.276 ± 0.006°
Cell volume	1615 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.09
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1704
Weighted residual factors for all reflections included in the refinement	0.1786
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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