Crystallography Open Database

Information card for entry 7063014

Preview

Coordinates	7063014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H35 Br4 Cd Cl2 N11 O6
Calculated formula	C33 H33 Br4 Cd Cl2 N11 O6
SMILES	Brc1cc(/C=N/[N]2=C(N[N]3=Cc4c(O[Cd]23(Cl)Cl)ccc(c4)Br)N)c(O)cc1.Brc1cc(/C=N/NC(=[NH2+])N/N=C/c2c(O)ccc(Br)c2)c(O)cc1.O=CN(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	12.3459 ± 0.0007 Å
b	14.1549 ± 0.0009 Å
c	14.4164 ± 0.0009 Å
α	116.555 ± 0.002°
β	99.07 ± 0.002°
γ	94.806 ± 0.002°
Cell volume	2191.2 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.07
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
290250 (current)	2024-03-04	cif/ Updating files of 7063013, 7063014 Original log message: Adding full bibliography for 7063013--7063014.cif.	7063014.cif
289763	2024-02-09	cif/ Adding structures of 7063013, 7063014 via cif-deposit CGI script.	7063014.cif