Crystallography Open Database

Information card for entry 7240783

Preview

Coordinates	7240783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 N4 Ni O2
Calculated formula	C42 H48 N4 Ni O2
Title of publication	Ancillary ligand electro-activity effects towards phenyl acetylene homocoupling reaction by a nickel(ii) complex of a non-innocent O-amino phenol ligand: a mechanistic insight
Authors of publication	Nasibipour, Mina; Safaei, Elham; Masoumpour, Marziyeh Sadat; Wojtczak, Andrzej
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	41
Pages of publication	24176 - 24189
a	16.469 ± 0.002 Å
b	8.1558 ± 0.0008 Å
c	16.897 ± 0.002 Å
α	90°
β	118.733 ± 0.017°
γ	90°
Cell volume	1990.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0742
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
257994 (current)	2020-10-06	cif/ Updating files of 7240783 Original log message: Adding full bibliography for 7240783.cif.	7240783.cif
253472	2020-06-26	cif/ Adding structures of 7240783 via cif-deposit CGI script.	7240783.cif