Crystallography Open Database

Information card for entry 1551907

1551906 << 1551907 >> 1551908

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Coordinates	1551907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Fe N6
Calculated formula	C14 H8.5 Fe N6
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	8.2188 ± 0.0019 Å
b	8.217 ± 0.002 Å
c	21.481 ± 0.013 Å
α	90°
β	97.66 ± 0.04°
γ	90°
Cell volume	1437.7 ± 1 Å³
Cell temperature	149.9 ± 0.3 K
Ambient diffraction temperature	149.9 ± 0.3 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	0.1986
Residual factor for significantly intense reflections	0.1772
Weighted residual factors for significantly intense reflections	0.411
Weighted residual factors for all reflections included in the refinement	0.4268
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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
216571 (current)	2019-06-26	cif/ Adding structures of 1551907 via cif-deposit CGI script.	1551907.cif