Crystallography Open Database

Information card for entry 4086262

Preview

Coordinates	4086262.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jonlm16
Chemical name	Pd(dippe)(tolyl)I
Formula	C21 H39 I P2 Pd
Calculated formula	C21 H39 I P2 Pd
SMILES	[Pd]1(I)([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	8.365 ± 0.0008 Å
b	25.177 ± 0.003 Å
c	11.5074 ± 0.0011 Å
α	90°
β	95.0676 ± 0.0018°
γ	90°
Cell volume	2414 ± 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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.	4086262.cif