Crystallography Open Database

Information card for entry 7019860

7019859 << 7019860 >> 7019861

Preview

Coordinates	7019860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.11 H28 Br Cl0.17 N2 Ni P0.33
Calculated formula	C30.0833 H28 Br Cl0.17 N2 Ni P0.333333
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	26.515 ± 0.007 Å
b	26.515 ± 0.007 Å
c	20.941 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	12750 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.196
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.2038
Weighted residual factors for all reflections included in the refinement	0.2539
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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.	7019860.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019860.cif
64332	2012-08-12	cif/ Adding structures of 7019859, 7019860, 7019861, 7019862, 7019863 via cif-deposit CGI script.	7019860.cif