Crystallography Open Database

Information card for entry 7054049

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Structure parameters

Common name	[Fe12i(C8)(dmap)2]
Formula	C49 H74 Fe N6 O9
Calculated formula	C49 H74 Fe N6 O9
Title of publication	Amphiphilic iron(ii) complexes with short alkyl chains – crystal packing and spin transition properties
Authors of publication	Schlamp, Stephan; Dankhoff, Katja; Weber, Birgit
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	5
Pages of publication	1965
a	12.0361 ± 0.0008 Å
b	13.4241 ± 0.001 Å
c	17.3275 ± 0.0013 Å
α	103.289 ± 0.006°
β	101.608 ± 0.006°
γ	99.935 ± 0.006°
Cell volume	2597.7 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	0.868
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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