Crystallography Open Database

Information card for entry 7052643

Preview

Coordinates	7052643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Ag Fe0.5 N4
Calculated formula	C14 H8 Ag Fe0.5 N4
Title of publication	Thermal and pressure-induced spin crossover in a novel three-dimensional Hoffman-like clathrate complex
Authors of publication	Shepherd, Helena J.; Bartual-Murgui, Carlos; Molnár, Gábor; Real, José Antonio; Muñoz, M. Carmen; Salmon, Lionel; Bousseksou, Azzedine
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	6
Pages of publication	1205
a	9.6204 ± 0.0004 Å
b	10.8948 ± 0.0005 Å
c	13.3105 ± 0.0005 Å
α	90°
β	95.411 ± 0.004°
γ	90°
Cell volume	1388.89 ± 0.1 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	0.905
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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