Crystallography Open Database

Information card for entry 4316190

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Coordinates	4316190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 Cl2 Cu N3 O10
Calculated formula	C34 H23 Cl Cu N3 O9
Title of publication	Oxygenation Chemistry at a Mononuclear Copper(II) Hydroquinone System with O2
Authors of publication	Kae Tabuchi; Hideki Sugimoto; Atsushi Kunishita; Nobutaka Fujieda; Shinobu Itoh
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	6820 - 6822
a	25.532 ± 0.009 Å
b	10.417 ± 0.004 Å
c	23.355 ± 0.009 Å
α	90°
β	95.99 ± 0.006°
γ	90°
Cell volume	6178 ± 4 Å³
Cell temperature	113.1 K
Ambient diffraction temperature	113.1 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	0.0757
Weighted residual factors for all reflections included in the refinement	0.2052
Goodness-of-fit parameter for all reflections included in the refinement	0.827
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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