Crystallography Open Database

Information card for entry 4073545

Preview

Coordinates	4073545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 B K Mn N6 O4
Calculated formula	C21 H21 B K Mn N6 O4
Title of publication	Mn(CO)2Complexes of Cyclopentadienyl/Scorpionate Hybrid Ligands
Authors of publication	Kunz, Kerstin; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	18
Pages of publication	4663
a	9.7794 ± 0.0011 Å
b	11.5583 ± 0.0014 Å
c	12.218 ± 0.0016 Å
α	105.25 ± 0.01°
β	109.593 ± 0.009°
γ	101.044 ± 0.009°
Cell volume	1194.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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