Crystallography Open Database

Information card for entry 4086951

Preview

Coordinates	4086951.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	complex7-thf
Formula	C24 H35 O4 P Pt S
Calculated formula	C24 H35 O4 P Pt S
SMILES	[Pt]1([P](c2ccccc2S(=O)(=O)O1)(C(C)(C)C)C(C)(C)C)([O]1CCCC1)c1ccccc1
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	13.738 ± 0.004 Å
b	8.982 ± 0.002 Å
c	19.759 ± 0.005 Å
α	90°
β	95.361 ± 0.004°
γ	90°
Cell volume	2427.5 ± 1.1 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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.	4086951.cif
191040	2017-01-28	cif/ Adding structures of 4086951 via cif-deposit CGI script.	4086951.cif