Crystallography Open Database

Information card for entry 4070640

Preview

Coordinates	4070640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H40 N4
Calculated formula	C38 H40 N4
SMILES	C1(C(C=C(C(C=1)=Nc1c(cccc1C)C)Nc1c(cccc1C)C)=Nc1c(C)cccc1C)Nc1c(C)cccc1C
Title of publication	Binuclear Nickel and Copper Complexes with Bridging 2,5-Diamino-1,4-benzoquinonediimines: Synthesis, Structures, and Catalytic Olefin Polymerization
Authors of publication	Huang, Yuan-Biao; Tang, Guang-Rong; Jin, Gui-Ying; Jin, Guo-Xin
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	2
Pages of publication	259
a	8.483 ± 0.005 Å
b	9.652 ± 0.005 Å
c	10.57 ± 0.007 Å
α	81.832 ± 0.012°
β	66.426 ± 0.007°
γ	74.004 ± 0.009°
Cell volume	762 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.141
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2175
Weighted residual factors for all reflections included in the refinement	0.2351
Goodness-of-fit parameter for all reflections included in the refinement	1.207
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
178595 (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 4/07/06.	4070640.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070640.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070640.cif
42608	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070640 via cif-deposit CGI script.	4070640.cif