Crystallography Open Database

Information card for entry 4321565

Preview

Coordinates	4321565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H18 Fe N6 O0.5 S2
Calculated formula	C30.5 H16 Fe N6 O0.5 S2
Title of publication	Spin Crossover Bistability in Three Mutually Perpendicular Interpenetrated (4,4) Nets
Authors of publication	Nicolás Moliner; Carmen Muñoz; Sylvie Létard; Xavier Solans; Nieves Menéndez; Antoine Goujon; François Varret; José Antonio Real
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	5390 - 5393
a	16.628 ± 0.001 Å
b	16.628 ± 0.001 Å
c	22.78 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6298.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1904
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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