Crystallography Open Database

Information card for entry 7700223

Preview

Coordinates	7700223.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	{4-bromo-2-((E)-(3-((E)-5-methoxy-2-oxidobenzylideneamino)propylimino)methyl)phenolato}nickel(II) ethanol monosolvate
Formula	C20 H23 Br N2 Ni O4
Calculated formula	C20 H23 Br N2 Ni O4
Title of publication	Push-pull unsymmetrical substitution in nickel(ii) complexes with tetradentate N<sub>2</sub>O<sub>2</sub> Schiff base ligands: synthesis, structures and linear-nonlinear optical studies.
Authors of publication	Rigamonti, Luca; Forni, Alessandra; Righetto, Stefania; Pasini, Alessandro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	30
Pages of publication	11217 - 11234
a	10.547 ± 0.0011 Å
b	9.3472 ± 0.001 Å
c	20.66 ± 0.002 Å
α	90°
β	98.968 ± 0.001°
γ	90°
Cell volume	2011.9 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
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	0.1016
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1443
Weighted residual factors for all reflections included in the refinement	0.1709
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
224333 (current)	2019-11-08	cif/ Updating files of 7700221, 7700222, 7700223 Original log message: Adding full bibliography for 7700221--7700223.cif.	7700223.cif
215799	2019-06-11	cif/ Adding structures of 7700221, 7700222, 7700223 via cif-deposit CGI script.	7700223.cif