Crystallography Open Database

Information card for entry 2205573

2205572 << 2205573 >> 2205574

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Structure parameters

Chemical name	Hexakis(μ~4~-2-amino-2-methylpropane-1,3-diolato)hexachloroheptairon(II,III) acetonitrile disolvate monohydrate
Formula	C28 H62 Cl6 Fe7 N8 O13
Calculated formula	C28 H59.94 Cl6 Fe7 N8 O13
Title of publication	Hexakis(μ~4~-2-amino-2-methylpropane-1,3-diolato)hexachloroheptairon(II,III) acetonitrile disolvate monohydrate
Authors of publication	Gaël Labat; Colette Boscovic; Hans U. Güdel
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	4
Pages of publication	m611 - m613
a	12.415 ± 0.0007 Å
b	12.415 ± 0.0007 Å
c	28.03 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	3741.5 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.114
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.1688
Goodness-of-fit parameter for all reflections included in the refinement	0.883
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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