Crystallography Open Database

Information card for entry 7130067

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Coordinates	7130067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H41 Cu F3 N4 O6 S
Calculated formula	C29 H41 Cu F3 N4 O6 S
Title of publication	Non-innocent redox behavior of CuII–p-dimethylaminophenolate complexes: formation and characterization of the CuI–phenoxyl radical species
Authors of publication	Shima, Yuto; Suzuki, Takashi; Abe, Hitoshi; Yajima, Tatsuo; Mori, Seiji; Shimazaki, Yuichi
Journal of publication	Chemical Communications
Year of publication	2022
a	10.1539 ± 0.0003 Å
b	12.0599 ± 0.0004 Å
c	13.1132 ± 0.0005 Å
α	80.675 ± 0.006°
β	84.497 ± 0.006°
γ	87.33 ± 0.006°
Cell volume	1576.47 ± 0.1 Å³
Cell temperature	133 K
Ambient diffraction temperature	133 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	0.0862
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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