Crystallography Open Database

Information card for entry 8106148

Preview

Coordinates	8106148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H50 Co2 N9 O15
Calculated formula	C60 H50 Co2 N9 O15
SMILES	O1c2c(C=[N]3[Co]4561[N](=Cc1c(cccc1)O5)[N]1=Cc5c(=O)oc7c(cccc7)c5O[Co]571(Oc1c(C=[N]5[N]6=Cc5c(cccc5)O4)c(=O)oc4c1cccc4)[N]3=Cc1c(c3c(oc1=O)cccc3)O7)cccc2.CN(C=O)C.CN(C=O)C.N(C=O)(C)C
Title of publication	Crystal structure of tris{(3-((E)-(((E)-2-oxidobenzylidene)hydrazono)methyl)-2-oxo-2H-chromen-4-olato-κ3 O,N:N′)}dicobalt(III)tris(dimethylformamide), C60H50Co2N9O15
Authors of publication	Li, Jing; Cheng, Zi-Heng; Jia, Hao-Ran; Yang, Fu-Wen; Yu, Bin; Sun, Yin-Xia
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	3
Pages of publication	345 - 348
a	13.6074 ± 0.0019 Å
b	13.9185 ± 0.0017 Å
c	15.837 ± 0.002 Å
α	81.196 ± 0.004°
β	86.607 ± 0.004°
γ	81.665 ± 0.004°
Cell volume	2930.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1039
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.201
Goodness-of-fit parameter for all reflections included in the refinement	0.888
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279382 (current)	2022-11-18	cif/ Adding structures of 8106148 via cif-deposit CGI script.	8106148.cif