Crystallography Open Database

Information card for entry 4086264

Preview

Coordinates	4086264.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jonlm19
Chemical name	Pd(dippe)(tolyl)(SPh)
Formula	C27 H44 P2 Pd S
Calculated formula	C27 H44 P2 Pd S
SMILES	[Pd]1(Sc2ccccc2)([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)c1ccc(cc1)C
Title of publication	Mechanistic Insights in the Exchange of Arylthiolate Groups in Aryl(arylthiolato)palladium Complexes Supported by a Dippe Ligand
Authors of publication	Munjanja, Lloyd; Brennessel, William W.; Jones, William D.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	18
Pages of publication	4574
a	12.9434 ± 0.001 Å
b	14.8315 ± 0.0012 Å
c	14.7678 ± 0.0012 Å
α	90°
β	98.5348 ± 0.0016°
γ	90°
Cell volume	2803.6 ± 0.4 Å³
Cell temperature	100 ± 0.5 K
Ambient diffraction temperature	100 ± 0.5 K
Number of distinct elements	5
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	0.055
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
160430 (current)	2015-10-06	cif/ Adding structures of 4086262, 4086263, 4086264, 4086265, 4086266, 4086267, 4086268 via cif-deposit CGI script.	4086264.cif