Crystallography Open Database

Information card for entry 4103381

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Coordinates	4103381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H17 Br8 Cl6 Mn N4 O2
Calculated formula	C41 H17 Br8 Cl6 Mn N4 O2
Title of publication	Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides
Authors of publication	Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	15233 - 15245
a	11.1966 ± 0.0002 Å
b	18.4159 ± 0.0003 Å
c	24.8914 ± 0.0006 Å
α	90°
β	99.9206 ± 0.0006°
γ	90°
Cell volume	5055.75 ± 0.17 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
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	0.069
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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