Crystallography Open Database

Information card for entry 1559915

Preview

Coordinates	1559915.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-[bis(μ-4,4'-bipyridine)-tetrakis(μ-dicyanamido)-di-iron 4,4'-bipyridine ethanol solvate]
Formula	C34.82 H25.85 Fe2 N16.96 O
Calculated formula	C34.815 H25.852 Fe2 N16.963 O
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	19.908 ± 0.009 Å
b	14.944 ± 0.008 Å
c	12.194 ± 0.006 Å
α	90°
β	91.379 ± 0.018°
γ	90°
Cell volume	3627 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260392 (current)	2021-01-03	cif/ Adding structures of 1559915 via cif-deposit CGI script.	1559915.cif