Crystallography Open Database

Information card for entry 7034733

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Coordinates	7034733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 Cl2 Cu N3 O4 S
Calculated formula	C15 H18 Cl2 Cu N3 O4 S
Title of publication	Catalytic catechol oxidation by copper complexes: development of a structure-activity relationship.
Authors of publication	Ording-Wenker, Erica C M; Siegler, Maxime A.; Lutz, Martin; Bouwman, Elisabeth
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	27
Pages of publication	12196 - 12209
a	21.2487 ± 0.0005 Å
b	12.6146 ± 0.0002 Å
c	14.6206 ± 0.0004 Å
α	90°
β	110.2 ± 0.003°
γ	90°
Cell volume	3677.92 ± 0.16 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
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	0.0413
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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