Crystallography Open Database

Information card for entry 7110436

Preview

Coordinates	7110436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cu N2 O6 S2
Calculated formula	C12 H12 Cu0.5 N2 O6 S2
Title of publication	Aerobic oxidation of a disulfide to its sulfonate leading to supramolecular pyridine-2-sulfonato Cu(II) and Zn(II) complexes
Authors of publication	Kimura, Kentaro; Kimura, Takahiro; Kinoshita, Isamu; Nakashima, Nobuaki; Kitano, Ken’ichi; Nishioka, Takanori; Isobe, Kiyoshi
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	6
Pages of publication	497
a	7.7242 ± 0.0008 Å
b	9.7417 ± 0.0008 Å
c	4.9584 ± 0.0007 Å
α	103.837 ± 0.009°
β	98.12 ± 0.01°
γ	93.227 ± 0.008°
Cell volume	357.07 ± 0.07 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0513
Goodness-of-fit parameter for significantly intense reflections	1.698
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoK_a
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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