Crystallography Open Database

Information card for entry 4349115

Preview

Coordinates	4349115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H3 F Fe N6 O0.5 Pt
Calculated formula	C8 H2 F Fe N6 O0.5 Pt
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	7.2782 ± 0.0003 Å
b	7.5613 ± 0.0002 Å
c	7.482 ± 0.0004 Å
α	90°
β	101.494 ± 0.005°
γ	90°
Cell volume	403.5 ± 0.03 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	7
Space group number	10
Hermann-Mauguin space group symbol	P 1 2/m 1
Hall space group symbol	-P 2y
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233588 (current)	2019-11-23	cif/ Adding structures of 4349115 via cif-deposit CGI script.	4349115.cif