Crystallography Open Database

Information card for entry 2312503

Preview

Coordinates	2312503.cif
Structure factors	2312503.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[4'-(4-methoxyphenyl)-2,2':6',2''-terpyridine]manganese(II) bis(perchlorate)
Formula	C44 H34 Cl2 Mn N6 O10
Calculated formula	C44 H34 Cl2 Mn N6 O10
SMILES	[Mn]1234([n]5c(c6[n]1c(c1[n]3cccc1)cc(c1ccc(OC)cc1)c6)cccc5)[n]1c(c3[n]2c(c2[n]4cccc2)cc(c3)c2ccc(OC)cc2)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Synthesis, characterization and structural analysis of complexes from 2,2':6',2''-terpyridine derivatives with transition metals.
Authors of publication	Fajardo, Daniel A.; Arteaga, Danny; Ellena, Javier; Santiago, Pedro H. O.; D'Vries, Richard F; Lenis, Luis Alberto
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	6
a	8.93282 ± 0.0001 Å
b	12.32698 ± 0.00013 Å
c	18.86081 ± 0.00019 Å
α	89.8757 ± 0.0008°
β	85.6122 ± 0.0008°
γ	83.5667 ± 0.0009°
Cell volume	2057.68 ± 0.04 Å³
Cell temperature	99.99 ± 0.11 K
Ambient diffraction temperature	99.99 ± 0.11 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
291899 (current)	2024-05-17	cif/ hkl/ Adding structures of 2312503, 2312504, 2312505 via cif-deposit CGI script.	2312503.cif 2312503.hkl