Crystallography Open Database

Information card for entry 7056555

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Coordinates	7056555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H102 Cl6 Cu7 Mn2 N12 O21
Calculated formula	C84 H102 Cl6 Cu7 Mn2 N12 O20.9998
Title of publication	Windmill-type mixed-metal clusters containing schiff-base ligands as efficient catalyst for cyclohexene oxidation
Authors of publication	Li, Xiaoqin; Ma, Dan; Cao, Bingran; Lu, Ying
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	20
Pages of publication	11619 - 11625
a	22.3264 ± 0.0003 Å
b	22.3264 ± 0.0003 Å
c	16.4388 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	7096.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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