Crystallography Open Database

Information card for entry 4346714

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Coordinates	4346714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Fe N6
Calculated formula	C16 H14 Fe N6
Title of publication	Solvent-Free Synthesis of a Pillared Three-Dimensional Coordination Polymer with Magnetic Ordering.
Authors of publication	López-Cabrelles, Javier; Giménez-Marqués, Mónica; Mínguez Espallargas, Guillermo; Coronado, Eugenio
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	21
Pages of publication	10490 - 10496
a	9.0687 ± 0.0003 Å
b	7.6924 ± 0.0003 Å
c	9.8492 ± 0.0004 Å
α	90°
β	90.754 ± 0.003°
γ	90°
Cell volume	687.02 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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