Crystallography Open Database

Information card for entry 1559916

Preview

Coordinates	1559916.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-poly[(5,5'-dimethyl-2,2'- bipyridine)bis(dicyanamido)ion(II)]
Formula	C16 H12 Fe N8
Calculated formula	C16 H12 Fe N8
SMILES	[Fe]12([n]3c(ccc(c3)C)c3[n]2cc(cc3)C)N=C=NC#[N][Fe]2(N=C=NC#[N]1)([n]1c(ccc(c1)C)c1[n]2cc(cc1)C)(N=C=NC#N)N=C=NC#N
Title of publication	The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey
Authors of publication	Setifi, Zouaoui; Geiger, David; Jelsch, Christian; Maris, Thierry; Glidewell, Christopher; Mirzaei, Masoud; Arefian, Mina; Setifi, Fatima
Journal of publication	Journal of Molecular Structure
Year of publication	2018
Journal volume	1173
Pages of publication	697 - 706
a	7.427 ± 0.005 Å
b	16.682 ± 0.005 Å
c	13.601 ± 0.005 Å
α	90°
β	96.413 ± 0.005°
γ	90°
Cell volume	1674.6 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
260393 (current)	2021-01-03	cif/ Adding structures of 1559916 via cif-deposit CGI script.	1559916.cif