Crystallography Open Database

Information card for entry 4071152

Preview

Coordinates	4071152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 Br N2 Ni P
Calculated formula	C23 H18 Br N2 Ni P
SMILES	[Ni]12(Br)[P](c3c([N]2=Cc2n1ccc2)cccc3)(c1ccccc1)c1ccccc1
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	18.8941 ± 0.0017 Å
b	8.8776 ± 0.0008 Å
c	11.9195 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1999.3 ± 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	0.0886
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2321
Weighted residual factors for all reflections included in the refinement	0.2415
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	4071152.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071152.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071152.cif
43069	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071152 via cif-deposit CGI script.	4071152.cif