Crystallography Open Database

Information card for entry 4349016

Preview

Coordinates	4349016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H44 Co N7 O6
Calculated formula	C45 H44 Co N7 O6
SMILES	[Co]1234(Oc5c(C=[N]2c2c6[n]1cccc6ccc2)cc1CCCN2CCCc5c12)Oc1c(C=[N]4c2cccc4ccc[n]3c24)cc2CCCN3CCCc1c23.O=N(=O)[O-].OC
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	21.9 ± 0.004 Å
b	18.01 ± 0.004 Å
c	23.63 ± 0.005 Å
α	90°
β	101.89 ± 0.03°
γ	90°
Cell volume	9120 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.2523
Weighted residual factors for all reflections included in the refinement	0.2594
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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.	4349016.cif