Crystallography Open Database

Information card for entry 4070891

Preview

Coordinates	4070891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H31 Cl N P Pd
Calculated formula	C25 H31 Cl N P Pd
SMILES	[Pd]12([P](c3ccccc3)(C3=C(/C=N/C(C)(C)C)CCC3)c3ccccc3)(Cl)C[CH]2=[CH2]1
Title of publication	Palladium(II) 3-Iminophosphine Complexes as Intermolecular Hydroamination Catalysts for the Formation of Imines and Enamines
Authors of publication	Shaffer, Andrew R.; Schmidt, Joseph A. R.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1259
a	9.9685 ± 0.0006 Å
b	13.7786 ± 0.0009 Å
c	17.6498 ± 0.0011 Å
α	90°
β	97.424 ± 0.001°
γ	90°
Cell volume	2403.9 ± 0.3 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
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	0.0311
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
178597 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08.	4070891.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070891.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070891.cif
42828	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070889, 4070890, 4070891, 4070892 via cif-deposit CGI script.	4070891.cif