Crystallography Open Database

Information card for entry 7202197

7202196 << 7202197 >> 7202198

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Coordinates	7202197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 N2 O5 S17
Calculated formula	C30 H34 N2 O5 S17
SMILES	S(=O)(=O)([O-])CNC(=O)C1C([N](=O)C(C)(C)C1)(C)C.S1C(SC2=C1SCCS2)=C1SC2=C(S1)SCCS2.S1C(SC2=C1SCCS2)=C1SC2=C(S1)SCCS2
Title of publication	The first organic paramagnetic metal containing the aminoxyl radical
Authors of publication	Akutsu, Hiroki; Sato, Keiko; Yamashita, Shinji; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.
Journal of publication	Journal of Materials Chemistry
Year of publication	2008
Journal volume	18
Journal issue	28
Pages of publication	3313
a	12.436 ± 0.004 Å
b	19.528 ± 0.006 Å
c	9.326 ± 0.003 Å
α	97.06 ± 0.03°
β	110.22 ± 0.03°
γ	83.44 ± 0.03°
Cell volume	2102.9 ± 1.2 Å³
Cell temperature	295.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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