Crystallography Open Database

Information card for entry 7036973

Preview

Coordinates	7036973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 Cl F12 Li2 N Ni O6
Calculated formula	C28 H32 Cl F12 Li2 N Ni O6
SMILES	[Ni]123[Cl]4[Li]56([F]C(F)(F)C([O]25)(c2cc(ccc2N1c1c(C2([O]3[Li]34([F]C2(F)F)[O](C)CC[O]3C)C(F)(F)F)cc(cc1)C)C)C(F)(F)F)[O](C)CC[O]6C
Title of publication	Synthesis and characterization of a family of M(2+) complexes supported by a trianionic ONO(3-) pincer-type ligand: towards the stabilization of high-spin square-planar complexes.
Authors of publication	Pascualini, M. E.; Stoian, S. A.; Ozarowski, A.; Di Russo, N. V.; Thuijs, A. E.; Abboud, K. A.; Christou, G.; Veige, A. S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	46
Pages of publication	20207 - 20215
a	10.0895 ± 0.0007 Å
b	11.9761 ± 0.0008 Å
c	30.403 ± 0.002 Å
α	84.244 ± 0.001°
β	87.334 ± 0.001°
γ	70.942 ± 0.001°
Cell volume	3454.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	0.917
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
171123 (current)	2015-12-09	cif/ Updating files of 7036971, 7036972, 7036973 Original log message: Adding full bibliography for 7036971--7036973.cif.	7036973.cif
169878	2015-10-30	cif/ Adding structures of 7036971, 7036972, 7036973 via cif-deposit CGI script.	7036973.cif