Crystallography Open Database

Information card for entry 4349117

Preview

Coordinates	4349117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 F2 Fe N8 Pd
Calculated formula	C12 H6 F2 Fe N8 Pd
Title of publication	Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.
Authors of publication	Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	20
Pages of publication	10654 - 10665
a	7.2646 ± 0.0002 Å
b	6.9726 ± 0.0003 Å
c	14.7703 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	748.16 ± 0.05 Å³
Cell temperature	98.5 ± 0.3 K
Ambient diffraction temperature	98.5 ± 0.3 K
Number of distinct elements	6
Space group number	53
Hermann-Mauguin space group symbol	P m n a
Hall space group symbol	-P 2ac 2
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233592 (current)	2019-11-23	cif/ Adding structures of 4349117 via cif-deposit CGI script.	4349117.cif