Crystallography Open Database

Information card for entry 4065444

Preview

Coordinates	4065444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H58 Cl2 N4 P2 Pd2
Calculated formula	C44 H58 Cl2 N4 P2 Pd2
SMILES	c12c(cc(cc1)C)[P](C(C)C)(C(C)C)[Pd]1(N2c2c(cc(cc2)C)C=[N]1CC[N]1=Cc2c(N3[Pd]1([P](c1c3ccc(c1)C)(C(C)C)C(C)C)Cl)ccc(c2)C)Cl
Title of publication	Binuclear Palladium Complexes Supported by Bridged Pincer Ligands
Authors of publication	Herbert, David E.; Ozerov, Oleg V.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	24
Pages of publication	6641
a	23.037 ± 0.011 Å
b	13.509 ± 0.006 Å
c	14.442 ± 0.007 Å
α	90°
β	103.707 ± 0.005°
γ	90°
Cell volume	4366 ± 4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
178547 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/54.	4065444.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065444.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065444.cif
33284	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065443, 4065444, 4065445, 4065446, 4065447, 4065448, 4065449, 4065450 via cif-deposit CGI script.	4065444.cif