Crystallography Open Database

Information card for entry 4349012

Preview

Coordinates	4349012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H53 Mn2 N6 O9
Calculated formula	C50 H53 Mn2 N6 O9
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	10.46 ± 0.002 Å
b	12.325 ± 0.002 Å
c	18.253 ± 0.004 Å
α	90°
β	94.73 ± 0.03°
γ	90°
Cell volume	2345.2 ± 0.8 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	0.0804
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	4349012.cif