Crystallography Open Database

Information card for entry 4087146

Preview

Coordinates	4087146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H46 Cl2 P2 Pt
Calculated formula	C36 H46 Cl2 P2 Pt
SMILES	[Pt]1([P](c2c(c3c(cccc3)c3c([P]1(C(C)C)C(C)C)cccc3)cccc2)(C(C)C)C(C)C)(Cl)Cl.c1ccccc1
Title of publication	An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes
Authors of publication	Barrett, Brittany J.; Iluc, Vlad M.
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	3
Pages of publication	730
a	9.9849 ± 0.0007 Å
b	21.4059 ± 0.0014 Å
c	15.5615 ± 0.001 Å
α	90°
β	91.32 ± 0.002°
γ	90°
Cell volume	3325.2 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0466
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
193345 (current)	2017-03-04	cif/ Adding structures of 4087146, 4087147, 4087148, 4087149, 4087150, 4087151, 4087152, 4087153, 4087154, 4087155 via cif-deposit CGI script.	4087146.cif