Crystallography Open Database

Information card for entry 4116892

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Coordinates	4116892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H21 F3 N10 O5 Pt S
Calculated formula	C13 H16 F3 N10 O5 Pt S
Title of publication	Metalated Nucleobase Quartets: Dimerization of a Metal-Modified Guanine, Cytosine Pair of trans-(NH3)2PtII and Formation of CH...N Hydrogen Bonds
Authors of publication	Roland K. O. Sigel; Eva Freisinger; Susanne Metzger; Bernhard Lippert
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	12000 - 12007
a	10.562 ± 0.002 Å
b	7.291 ± 0.001 Å
c	15.259 ± 0.003 Å
α	90°
β	106.81 ± 0.03°
γ	90°
Cell volume	1124.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for all reflections	0.106
Weighted residual factors for significantly intense reflections	0.093
Goodness-of-fit parameter for all reflections	0.953
Goodness-of-fit parameter for significantly intense reflections	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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