Crystallography Open Database

Information card for entry 4087149

Preview

Coordinates	4087149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H54 P2 Pt
Calculated formula	C45 H54 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)=C(c1ccc(cc1)C)c1ccc(cc1)C
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	14.9955 ± 0.001 Å
b	14.4043 ± 0.0009 Å
c	18.4309 ± 0.0012 Å
α	90°
β	103.379 ± 0.001°
γ	90°
Cell volume	3873 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.0544
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0573
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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.	4087149.cif