Crystallography Open Database

Information card for entry 4349013

Preview

Coordinates	4349013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 N3 Ni0.5 O1.5
Calculated formula	C22 H21 N3 Ni0.5 O1.5
Title of publication	3d transition metal complexes with a julolidine‒quinoline based ligand: structures, spectroscopy and optical properties
Authors of publication	Fanna, Daniel J.; Zhang, Yingjie; Li, Li; Karatchevtseva, Inna; Shepherd, Nicholas D.; Azim, Abdul; Price, Jason R.; Aldrich-Wright, Janice; Reynolds, Jason K.; Li, Feng
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	2
Pages of publication	286
a	20.534 ± 0.004 Å
b	13.565 ± 0.003 Å
c	15.695 ± 0.003 Å
α	90°
β	125.65 ± 0.03°
γ	90°
Cell volume	3552.4 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71074 Å
Diffraction radiation type	silicondoublecrystalmonochromatedsynchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233543 (current)	2019-11-23	cif/ Adding structures of 4349012, 4349013, 4349014, 4349015, 4349016 via cif-deposit CGI script.	4349013.cif