Crystallography Open Database

Information card for entry 7710386

Preview

Coordinates	7710386.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	LIGAND
Chemical name	H3L
Formula	C26 H31 N3 O2
Calculated formula	C26 H31 N3 O2
Title of publication	Ni(ii) complexes of a new tetradentate NN′N′′O picolinoyl-1,2-phenylenediamide-phenolate redox-active ligand at different redox levels
Authors of publication	Mukhopadhyay, Narottam; Sengupta, Arunava; Vijay, Aswin Kottapurath; Lloret, Francesc; Mukherjee, Rabindranath
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.8121 ± 0.0005 Å
b	9.6447 ± 0.0004 Å
c	18.5196 ± 0.0007 Å
α	90°
β	98.531 ± 0.004°
γ	90°
Cell volume	2263.13 ± 0.16 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
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	0.0513
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
275710 (current)	2022-06-01	cif/ Adding structures of 7710384, 7710385, 7710386, 7710387 via cif-deposit CGI script.	7710386.cif