Crystallography Open Database

Information card for entry 4084323

Preview

Coordinates	4084323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 Cl4 Cu2 N10 O16
Calculated formula	C40 H44 Cl3 Cu2 N10 O12
Title of publication	Aerobic Oxidative Coupling of 2-Naphthol Derivatives Catalyzed by a Hexanuclear Bis(μ-hydroxo)copper(II) Catalyst
Authors of publication	Meesala, Yedukondalu; Wu, Hsyueh-Liang; Koteswararao, Bommisetti; Kuo, Ting-Shen; Lee, Way-Zen
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	17
Pages of publication	4385
a	9.0132 ± 0.0003 Å
b	31.3362 ± 0.0009 Å
c	18.9321 ± 0.0005 Å
α	90°
β	96.475 ± 0.001°
γ	90°
Cell volume	5313.1 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1077
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.2078
Weighted residual factors for all reflections included in the refinement	0.2217
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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