Crystallography Open Database

Information card for entry 4071154

Preview

Coordinates	4071154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 Cl N2 P Pd
Calculated formula	C23 H18 Cl N2 P Pd
SMILES	[Pd]12([P](c3c([N]2=Cc2n1ccc2)cccc3)(c1ccccc1)c1ccccc1)Cl
Title of publication	Synthesis and Characterization of Pyrrole-imine [N−NP] Nickel(II) and Palladium(II) Complexes and Their Applications to Norbornene Polymerization
Authors of publication	Han, Fu-Bin; Zhang, Yu-Liang; Sun, Xiu-Li; Li, Bao-Guo; Guo, Yang-Hui; Tang, Yong
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	8
Pages of publication	1924
a	18.8885 ± 0.0013 Å
b	8.9493 ± 0.0007 Å
c	11.9998 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2028.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.0527
Goodness-of-fit parameter for all reflections included in the refinement	0.773
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
178600 (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 4/07/11.	4071154.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071154.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071154.cif
43071	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071154 via cif-deposit CGI script.	4071154.cif