Crystallography Open Database

Information card for entry 1551905

1551904 << 1551905 >> 1551906

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Coordinates	1551905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Fe N4
Calculated formula	C16 H12 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	8.2809 ± 0.0006 Å
b	8.2718 ± 0.0006 Å
c	21.798 ± 0.003 Å
α	90°
β	92.418 ± 0.008°
γ	90°
Cell volume	1491.8 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.097
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.1957
Weighted residual factors for all reflections included in the refinement	0.2027
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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
216569 (current)	2019-06-26	cif/ Adding structures of 1551905 via cif-deposit CGI script.	1551905.cif