Crystallography Open Database

Information card for entry 4341917

4341916 << 4341917 >> 4341918

Preview

Coordinates	4341917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.5 H22 F10 N4 Zn
Calculated formula	C35.5 H22 F10 N4 Zn
SMILES	[Zn]1([N](=NC(=[N]1Nc1ccccc1)c1ccc(cc1)C)c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1(ccccc1)C
Title of publication	Formazanate Ligands as Structurally Versatile, Redox-Active Analogues of β-Diketiminates in Zinc Chemistry.
Authors of publication	Chang, Mu-Chieh; Roewen, Peter; Travieso-Puente, Raquel; Lutz, Martin; Otten, Edwin
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	1
Pages of publication	379 - 388
a	10.8546 ± 0.0003 Å
b	10.9884 ± 0.0003 Å
c	13.7821 ± 0.0004 Å
α	82.9604 ± 0.0007°
β	85.6641 ± 0.0008°
γ	78.0685 ± 0.0007°
Cell volume	1594.08 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0743
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341917.cif
130571	2015-02-04	cif/ Updating files of 4341915, 4341916, 4341917, 4341918, 4341919 Original log message: Adding full bibliography for 4341915--4341919.cif.	4341917.cif
128625	2014-12-13	cif/ Adding structures of 4341917 via cif-deposit CGI script.	4341917.cif