Crystallography Open Database

Information card for entry 1544021

Preview

Coordinates	1544021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H50 Mn2 N8 O16
Calculated formula	C34 H50 Mn2 N8 O16
SMILES	[Mn]123(Oc4c(C=[N]3N=C(O1)c1n(C)cc(N(=O)=O)c1)cccc4)([O]([Mn]13([N](N=C(O1)c1n(cc(N(=O)=O)c1)C)=Cc1c(O3)cccc1)([O]2C)[OH]C)C)[OH]C.OC.OC.OC.OC
Title of publication	Transition metal complexes of asymmetrical aroyl-hydrazone ligand: Syntheses, structures, DNA binding and cleavage studies
Authors of publication	Wang Jing-lin; Zhao Ya-qin; Yang Bin-sheng
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	484 - 496
a	10.0299 ± 0.0013 Å
b	10.4739 ± 0.0014 Å
c	11.407 ± 0.0019 Å
α	87.544 ± 0.002°
β	80.863 ± 0.002°
γ	64.598 ± 0.001°
Cell volume	1068.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0901
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1537
Weighted residual factors for all reflections included in the refinement	0.1789
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1544021.cif
186162	2016-09-06	cif/ Adding structures of 1544021 via cif-deposit CGI script.	1544021.cif