Crystallography Open Database

Information card for entry 7036508

Preview

Coordinates	7036508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H57 Fe3 N3 O6
Calculated formula	C60 H57 Fe3 N3 O6
Title of publication	Four-coordinate nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study.
Authors of publication	Novoa, Néstor; Roisnel, Thierry; Hamon, Paul; Kahlal, Samia; Manzur, Carolina; Ngo, Hoang Minh; Ledoux-Rak, Isabelle; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	41
Pages of publication	18019 - 18037
a	14.3007 ± 0.0007 Å
b	14.7917 ± 0.0006 Å
c	15.2273 ± 0.0006 Å
α	95.987 ± 0.002°
β	109.006 ± 0.002°
γ	105.734 ± 0.002°
Cell volume	2864.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1507
Weighted residual factors for all reflections included in the refinement	0.1616
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
171186 (current)	2015-12-09	cif/ Updating files of 7036507, 7036508, 7036509, 7036510, 7036511 Original log message: Adding full bibliography for 7036507--7036511.cif.	7036508.cif
156313	2015-09-15	cif/ Adding structures of 7036507, 7036508, 7036509, 7036510, 7036511 via cif-deposit CGI script.	7036508.cif