Crystallography Open Database

Information card for entry 1566713

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Coordinates	1566713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H59 B P2 Pt S
Calculated formula	C56 H59 B P2 Pt S
Title of publication	Sulfonium cations as versatile strongly π-acidic ligands
Authors of publication	Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri
Journal of publication	Chemical Science
Year of publication	2022
a	16.6775 ± 0.0002 Å
b	15.3273 ± 0.0002 Å
c	19.3126 ± 0.0003 Å
α	90°
β	102.496 ± 0.001°
γ	90°
Cell volume	4819.76 ± 0.12 Å³
Cell temperature	293.2 ± 0.4 K
Ambient diffraction temperature	293.2 ± 0.4 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0216
Residual factor for significantly intense reflections	0.0177
Weighted residual factors for significantly intense reflections	0.0401
Weighted residual factors for all reflections included in the refinement	0.0412
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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