Crystallography Open Database

Information card for entry 4112935

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Coordinates	4112935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 N2 O4 Pt S
Calculated formula	C13 H16 N2 O4 Pt S
SMILES	[Pt]12([n]3ccccc3C(S(=O)(=O)O2)c2[n]1cccc2)(O)(C)C
Title of publication	Synthesis and Reactivity of Dimethyl Platinum(IV) Hydrides in Water
Authors of publication	Andrei N. Vedernikov; James C. Fettinger; Fabian Mohr
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	11160 - 11161
a	25.4245 ± 0.001 Å
b	9.5083 ± 0.0004 Å
c	25.4884 ± 0.001 Å
α	90°
β	98.36 ± 0.001°
γ	90°
Cell volume	6096.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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