Crystallography Open Database

Information card for entry 4131194

Preview

Coordinates	4131194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H67 Cl3 In N2 P Pt
Calculated formula	C44 H67 Cl3 In N2 P Pt
SMILES	[Pt]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[N]c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(cccc1C(C)C)C(C)C)[In](Cl)(Cl)Cl
Title of publication	Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.
Authors of publication	Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	49
Pages of publication	16140 - 16147
a	26.842 ± 0.005 Å
b	11.4344 ± 0.0019 Å
c	18.267 ± 0.005 Å
α	90°
β	125.656 ± 0.012°
γ	90°
Cell volume	4555.5 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0216
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.038
Weighted residual factors for all reflections included in the refinement	0.0389
Goodness-of-fit parameter for all reflections included in the refinement	0.807
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
241460 (current)	2019-11-25	cif/ Adding structures of 4131190, 4131191, 4131192, 4131193, 4131194, 4131195, 4131196, 4131197 via cif-deposit CGI script.	4131194.cif