Crystallography Open Database

Information card for entry 4089082

Preview

Coordinates	4089082.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	c12[Pt]3([P](CCC)(CCC)CCC)(C)(I)[n]4c(c2ccc(c1)F)cccc4c1ccc(F)cc31
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	12.70561 ± 0.00018 Å
b	14.9295 ± 0.0003 Å
c	13.7143 ± 0.0002 Å
α	90°
β	93.1156 ± 0.0013°
γ	90°
Cell volume	2597.6 ± 0.07 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	4089082.cif