Crystallography Open Database

Information card for entry 4089084

Preview

Coordinates	4089084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 F2 I N P Pt
Calculated formula	C27 H33 F2 I N P Pt
SMILES	[Pt]1(I)([P](CCC)(CCC)CCC)c2cc(F)ccc2c2[n]1c(ccc2)c1ccc(F)cc1C
Title of publication	Long-Lived Five-Coordinate Platinum(IV) Intermediates: Regiospecific C‒C Coupling
Authors of publication	Shaw, Paul A.; Clarkson, Guy J.; Rourke, Jonathan P.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	21
Pages of publication	3751
a	17.1855 ± 0.0002 Å
b	12.17889 ± 0.00016 Å
c	13.62801 ± 0.00018 Å
α	90°
β	106.936 ± 0.0013°
γ	90°
Cell volume	2728.65 ± 0.06 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	0.038
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237977 (current)	2019-11-24	cif/ Adding structures of 4089082, 4089083, 4089084, 4089085, 4089086, 4089087 via cif-deposit CGI script.	4089084.cif