Crystallography Open Database

Information card for entry 7720010

7720009 << 7720010 >> 7720011

Preview

Coordinates	7720010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 F6 Mn N3 O4 P
Calculated formula	C18 H21 F6 Mn N3 O4 P
Title of publication	Crystallographic Evidence of a Trinuclear (salen)Manganese(IV/III/IV)-μ-Oxo Formed during Catalytic C(sp3)–H Oxidation Reactions
Authors of publication	Paul, Bhaswati; Dabare, Kusalvin; Bocarsly, Joshua D.; Mills, L. Reginald
Journal of publication	Dalton Transactions
Year of publication	2026
a	6.9874 ± 0.0003 Å
b	12.2254 ± 0.0006 Å
c	13.3032 ± 0.0006 Å
α	102.936 ± 0.001°
β	94.353 ± 0.001°
γ	91.086 ± 0.002°
Cell volume	1103.62 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0647
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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