Crystallography Open Database

Information card for entry 4070570

Preview

Coordinates	4070570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H30 Cl4 N2 P2 Pd
Calculated formula	C19 H30 Cl4 N2 P2 Pd
SMILES	[Pd]1(Cl)(Cl)[P@@](c2nc3ccccc3nc2[P@]1(C)C(C)(C)C)(C)C(C)(C)C.ClCCl
Title of publication	Structures and Redox Properties of Metal Complexes of the Electron-Deficient Diphosphine Chelate LigandR,R-QuinoxP
Authors of publication	Das, Atanu Kumar; Bulak, Ece; Sarkar, Biprajit; Lissner, Falk; Schleid, Thomas; Niemeyer, Mark; Fiedler, Jan; Kaim, Wolfgang
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	2
Pages of publication	218
a	7.9252 ± 0.0001 Å
b	15.1396 ± 0.0003 Å
c	10.4448 ± 0.0002 Å
α	90°
β	99.015 ± 0.001°
γ	90°
Cell volume	1237.73 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
178594 (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 4/07/05.	4070570.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070570.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070570.cif
42566	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070570 via cif-deposit CGI script.	4070570.cif