Crystallography Open Database

Information card for entry 1551904

1551903 << 1551904 >> 1551905

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Coordinates	1551904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Fe N4
Calculated formula	C14 H10 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	8.3356 ± 0.0014 Å
b	8.3352 ± 0.0011 Å
c	18.758 ± 0.003 Å
α	90°
β	96.965 ± 0.013°
γ	90°
Cell volume	1293.7 ± 0.3 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	0.0871
Residual factor for significantly intense reflections	0.0813
Weighted residual factors for significantly intense reflections	0.2198
Weighted residual factors for all reflections included in the refinement	0.2275
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
216568 (current)	2019-06-26	cif/ Adding structures of 1551904 via cif-deposit CGI script.	1551904.cif