Crystallography Open Database

Information card for entry 4084322

Preview

Coordinates	4084322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H102 Cl6 Cu6 N18 O31
Calculated formula	C96 H102 Cl6 Cu6 N18 O31
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	16.5608 ± 0.0005 Å
b	34.7656 ± 0.0008 Å
c	23.698 ± 0.0006 Å
α	90°
β	90.063 ± 0.002°
γ	90°
Cell volume	13644 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2351
Weighted residual factors for all reflections included in the refinement	0.2538
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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