Crystallography Open Database

Information card for entry 7063013

Preview

Coordinates	7063013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H35 Br4 Cl2 N11 O6 Zn
Calculated formula	C33 H33 Br4 Cl2 N11 O6 Zn
SMILES	Brc1ccc(O)c(/C=N/[N]2[Zn]3(Oc4c(cc(cc4)Br)C=[N]3NC=2N)(Cl)Cl)c1.Brc1ccc(O)c(c1)/C=N/NC(=[NH2+])N/N=C/c1c(O)ccc(c1)Br.N(C=O)(C)C.O
Title of publication	An all-rounder aminoguanidine based ligand, its unusual anionic zinc(ii) and cadmium(ii) coordination complexes and their biological implications
Authors of publication	Santu, Ansa; Hashim, K. K. Mohammed; Manoj, E.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	10
Pages of publication	4496 - 4506
a	12.4293 ± 0.0003 Å
b	13.9253 ± 0.0003 Å
c	14.0492 ± 0.0003 Å
α	115.043 ± 0.001°
β	99.343 ± 0.001°
γ	95.003 ± 0.001°
Cell volume	2140.51 ± 0.09 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1142
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290250 (current)	2024-03-04	cif/ Updating files of 7063013, 7063014 Original log message: Adding full bibliography for 7063013--7063014.cif.	7063013.cif
289763	2024-02-09	cif/ Adding structures of 7063013, 7063014 via cif-deposit CGI script.	7063013.cif