Crystallography Open Database

Information card for entry 4109518

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Coordinates	4109518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H30 Cl2 Cu N4 O8
Calculated formula	C33 H30 Cl2 Cu N4 O8
Title of publication	Aromatic Hydroxylation Reactivity of a Mononuclear Cu(II)-Alkylperoxo Complex
Authors of publication	Atsushi Kunishita; Junji Teraoka; Joseph D. Scanlon; Takahiro Matsumoto; Masatatsu Suzuki; Christopher J. Cramer; Shinobu Itoh
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7248 - 7249
a	23.675 ± 0.015 Å
b	16.448 ± 0.01 Å
c	17.832 ± 0.01 Å
α	90°
β	101.21 ± 0.03°
γ	90°
Cell volume	6811 ± 7 Å³
Cell temperature	296.1 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 significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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