Crystallography Open Database

Information card for entry 7019863

7019862 << 7019863 >> 7019864

Preview

Coordinates	7019863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H47 Cl2 Fe Li N2 O2
Calculated formula	C36 H47 Cl2 Fe Li N2 O2
SMILES	c12c3cccc2C=[N](c2c(cccc2CC)CC)[Fe]12([N](=C3)c1c(cccc1CC)CC)[Cl][Li]([O]1CCCC1)([O]1CCCC1)[Cl]2
Title of publication	Ni(ii) and Fe(ii) complexes based on bis(imino)aryl pincer ligands: synthesis, structural characterization and catalytic activities.
Authors of publication	Zhang, Jingshun; Gao, Wei; Lang, Xiaomei; Wu, Qiaolin; Zhang, Lei; Mu, Ying
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	32
Pages of publication	9639 - 9645
a	10.4769 ± 0.0019 Å
b	17.05 ± 0.003 Å
c	20.291 ± 0.004 Å
α	90°
β	98.088 ± 0.003°
γ	90°
Cell volume	3588.6 ± 1.2 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1396
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.1817
Weighted residual factors for all reflections included in the refinement	0.2158
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
179902 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/98.	7019863.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019863.cif
64332	2012-08-12	cif/ Adding structures of 7019859, 7019860, 7019861, 7019862, 7019863 via cif-deposit CGI script.	7019863.cif