Crystallography Open Database

Information card for entry 4086950

Preview

Coordinates	4086950.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	complex7sme2
Formula	C22 H33 O3 P Pt S2
Calculated formula	C22 H33 O3 P Pt S2
SMILES	[Pt]1([P](c2c(S(=O)(=O)O1)cccc2)(C(C)(C)C)C(C)(C)C)(c1ccccc1)[S](C)C
Title of publication	Facile Styrene Formation from Ethylene and a Phenylplatinum(II) Complex Leading to an Observable Platinum(II) Hydride
Authors of publication	Pal, Shrinwantu; Kusumoto, Shuhei; Nozaki, Kyoko
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	3
Pages of publication	502
a	8.193 ± 0.0016 Å
b	20.507 ± 0.004 Å
c	14.174 ± 0.003 Å
α	90°
β	94.523 ± 0.002°
γ	90°
Cell volume	2374 ± 0.8 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193620 (current)	2017-03-04	cif/ Updating files of 4086950, 4086951, 4086952, 4086953 Original log message: Adding full bibliography for 4086950--4086953.cif.	4086950.cif
191039	2017-01-28	cif/ Adding structures of 4086950 via cif-deposit CGI script.	4086950.cif