Crystallography Open Database

Information card for entry 1571146

Preview

Coordinates	1571146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 F20 Mn O4 P2 Te4
Calculated formula	C48 H40 F20 Mn O4 P2 Te4
Title of publication	Questing for homoleptic mononuclear manganese complexes with monodentate O-donor ligands.
Authors of publication	Pérez-Bitrián, Alberto; Munárriz, Julen; Krause, Konstantin B.; Schlögl, Johanna; Hoffmann, Kurt F.; Sturm, Johanna S.; Hadi, Amiera N.; Teutloff, Christian; Wiesner, Anja; Limberg, Christian; Riedel, Sebastian
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	15
Pages of publication	5564 - 5572
a	11.8607 ± 0.0003 Å
b	11.8607 ± 0.0003 Å
c	39.8339 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	5603.7 ± 0.3 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.0712
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
291585 (current)	2024-05-05	cif/ Updating files of 1571146 Original log message: Adding full bibliography for 1571146.cif.	1571146.cif
290345	2024-03-06	cif/ Adding structures of 1571146 via cif-deposit CGI script.	1571146.cif