Crystallography Open Database

Information card for entry 7716714

Preview

Coordinates	7716714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 Br N6 O3 Zn
Calculated formula	C14 H17 Br N6 O3 Zn
Title of publication	Synergy of experimental and computational chemistry: structure and biological activity of Zn(II) hydrazone complexes.
Authors of publication	Savić, Milica; Pevec, Andrej; Stevanović, Nevena; Novaković, Irena; Matić, Ivana Z; Petrović, Nina; Stanojković, Tatjana; Milčić, Karla; Zlatar, Matija; Turel, Iztok; Čobeljić, Božidar; Milčić, Miloš; Gruden, Maja
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	32
Pages of publication	13436 - 13453
a	7.4852 ± 0.0003 Å
b	9.8974 ± 0.0005 Å
c	13.2682 ± 0.0006 Å
α	95.579 ± 0.004°
β	92.748 ± 0.004°
γ	110.231 ± 0.004°
Cell volume	914.44 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.071
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1735
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294539 (current)	2024-09-06	cif/ Updating files of 7716713, 7716714, 7716715 Original log message: Adding full bibliography for 7716713--7716715.cif.	7716714.cif
293516	2024-07-24	cif/ Adding structures of 7716713, 7716714, 7716715 via cif-deposit CGI script.	7716714.cif