Crystallography Open Database

Information card for entry 1551242

Preview

Coordinates	1551242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 B4 Co2 F16 N16 O5
Calculated formula	C60 H66 B4 Co2 F16 N16 O5
Title of publication	Mononuclear complexes of FeII, CoII and CoIII containing imine-based ligands of 8-aminoquinoline and 7-aminoindazole: spin state tuning of FeII complexes in solution
Authors of publication	Sánchez-Viveros, José Manuel; Bucio-Ortega, Job; Ortiz-Pastrana, Naytzé; Olguín, Juan
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	25
Pages of publication	9776
a	21.699 ± 0.009 Å
b	12.54 ± 0.004 Å
c	15.873 ± 0.008 Å
α	90°
β	119.63 ± 0.02°
γ	90°
Cell volume	3754 ± 3 Å³
Cell temperature	166 ± 2 K
Ambient diffraction temperature	166 ± 2 K
Number of distinct elements	7
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	0.0692
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.1683
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224857 (current)	2019-11-08	cif/ Updating files of 1551241, 1551242, 1551243 Original log message: Adding full bibliography for 1551241--1551243.cif.	1551242.cif
215704	2019-06-05	cif/ Adding structures of 1551241, 1551242, 1551243 via cif-deposit CGI script.	1551242.cif