Crystallography Open Database

Information card for entry 4071616

Preview

Coordinates	4071616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H19 Cl N4 O2
Calculated formula	C12 H19 Cl N4 O2
SMILES	O(c1nnc(n2c[n+](cc2)CCCC)cc1)C.O.[Cl-]
Title of publication	Dinuclear Palladacyclic Complexes Derived from C−N Cleavage of an Imidazolium Salt: Synthesis, Structural Characterization, and Their Uses for C−C Coupling
Authors of publication	Ye, Jiansheng; Zhang, Xiaoming; Chen, Wanzhi; Shimada, Shigeru
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	16
Pages of publication	4166
a	5.0761 ± 0.0008 Å
b	14.6843 ± 0.0016 Å
c	21.131 ± 0.002 Å
α	90°
β	98.605 ± 0.003°
γ	90°
Cell volume	1557.4 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.225
Residual factor for significantly intense reflections	0.1267
Weighted residual factors for significantly intense reflections	0.2936
Weighted residual factors for all reflections included in the refinement	0.346
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
178605 (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 4/07/16.	4071616.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071616.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071616.cif
43947	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071614, 4071615, 4071616, 4071617 via cif-deposit CGI script.	4071616.cif