Crystallography Open Database

Information card for entry 4349015

Preview

Coordinates	4349015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H50 N6 O7 Zn2
Calculated formula	C49 H50 N6 O7 Zn2
SMILES	[Zn]123(Oc4c(C=[N]2c2cccc5ccc[n]1c25)cc1CCCN2CCCc4c12)[O](C(=O)C)[Zn]12([O]=C(O3)C)Oc3c(C=[N]2c2cccc4ccc[n]1c24)cc1CCCN2CCCc3c12.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	12.804 ± 0.003 Å
b	17.462 ± 0.003 Å
c	19.515 ± 0.004 Å
α	87.2 ± 0.03°
β	88.48 ± 0.03°
γ	89.9 ± 0.03°
Cell volume	4356.5 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1658
Weighted residual factors for all reflections included in the refinement	0.1704
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	4349015.cif