Crystallography Open Database

Information card for entry 4066412

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Coordinates	4066412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H42 B2 Mn2 O6
Calculated formula	C34 H42 B2 Mn2 O6
Title of publication	Reactivity of [(C5Me5)Fe(C5H4BBr2)] and [(OC)3Mn(C5H4BBr2)] toward Et3SiH: Facile Access to [(OC)3Mn(C5H4BH2)]2and to Boron-Bridged Dinuclear Organometallics†
Authors of publication	Eckensberger, U. David; Weber, Mitra; Wildt, Julia; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	5301
a	19.7936 ± 0.0014 Å
b	19.7936 ± 0.0014 Å
c	35.745 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	14004 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1072
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1689
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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