Crystallography Open Database

Information card for entry 4023141

Preview

Coordinates	4023141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H17 I N2 Pt
Calculated formula	C25 H17 I N2 Pt
SMILES	[Pt]12(c3ccccc3c3[n]1c(cc(I)c3)c1[n]2cccc1)C#Cc1ccc(cc1)C
Title of publication	A Rational Protocol for the Synthesis of Arylated Bipyridine Ligands via a Cycloaddition Pathway
Authors of publication	Stéphane Diring; Pascal Retailleau; Raymond Ziessel
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	10181 - 10193
a	22.19 ± 0.002 Å
b	16.363 ± 0.001 Å
c	13.666 ± 0.001 Å
α	90°
β	122.334 ± 0.002°
γ	90°
Cell volume	4192.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.305
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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