Crystallography Open Database

Information card for entry 7063016

Preview

Coordinates	7063016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 N10 O2 Zn2
Calculated formula	C34 H26 N10 O2 Zn2
SMILES	[Zn]123(Oc4ccc5ccccc5c4C=[N]1Cc1[n]2cccc1)[O]1[Zn]2([N](=Cc4c1ccc1ccccc41)Cc1[n]2cccc1)([N]3=N#N)N=N#N
Title of publication	Tridentate chelating ligand based fluorescent Zn(ii) coordination compounds for highly selective detection of picric acid
Authors of publication	Saren, Dama; Zangrando, Ennio; Puschmann, Horst; Manna, Subal Chandra
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	11
Pages of publication	4821 - 4830
a	11.3596 ± 0.0005 Å
b	16.6853 ± 0.0008 Å
c	17.5651 ± 0.0007 Å
α	110.72 ± 0.004°
β	98.14 ± 0.003°
γ	91.539 ± 0.004°
Cell volume	3071.9 ± 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	0.0581
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
291025 (current)	2024-04-05	cif/ Updating files of 7063016, 7063017 Original log message: Adding full bibliography for 7063016--7063017.cif.	7063016.cif
289841	2024-02-16	cif/ Adding structures of 7063016, 7063017 via cif-deposit CGI script.	7063016.cif