Crystallography Open Database

Information card for entry 1551906

1551905 << 1551906 >> 1551907

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Coordinates	1551906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Br2 Fe N4
Calculated formula	C14 H8 Br2 Fe N4
Title of publication	Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization
Authors of publication	J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado
Journal of publication	Nature Chemistry
Year of publication	2018
Journal volume	10
Pages of publication	1001 - 1007
a	8.2958 ± 0.0006 Å
b	8.2991 ± 0.0006 Å
c	22.299 ± 0.002 Å
α	90°
β	92.44 ± 0.008°
γ	90°
Cell volume	1533.8 ± 0.2 Å³
Cell temperature	150.02 ± 0.1 K
Ambient diffraction temperature	150.02 ± 0.1 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.2505
Residual factor for significantly intense reflections	0.2372
Weighted residual factors for significantly intense reflections	0.5361
Weighted residual factors for all reflections included in the refinement	0.5506
Goodness-of-fit parameter for all reflections included in the refinement	2.445
Diffraction radiation probe	x-ray
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
216570 (current)	2019-06-26	cif/ Adding structures of 1551906 via cif-deposit CGI script.	1551906.cif