Crystallography Open Database

Information card for entry 4300889

Preview

Coordinates	4300889.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4,4'-di-tert-butylbipyridine-(1,4,7-trithiacyclononane)platinum(II) bis(hexafluorophosphate) acetonitrile benzene solvate
Formula	C31 H45 F12 N4 P2 Pt S3
Calculated formula	C31 H45 F12 N4 P2 Pt S3
Title of publication	Intramolecular Metal...Sulfur Interactions of Platinum(II) 1,4,7-Trithiacyclononane Complexes with Bipyridyl Ligands: The Relationship between Molecular and Electronic Structures
Authors of publication	Tyler W. Green; Rachel Lieberman; Neal Mitchell; Jeanette A. Krause Bauer; William B. Connick
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1955 - 1965
a	13.0533 ± 0.0013 Å
b	13.1714 ± 0.0014 Å
c	23.742 ± 0.002 Å
α	90°
β	104.818 ± 0.002°
γ	90°
Cell volume	3946.2 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.1524
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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