Crystallography Open Database

Information card for entry 4349413

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Coordinates	4349413.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris[bis(tert-butylimido)manganese(IV)bis(tert-butylimido)manganese(V) hexafluorophosphate
Formula	C32 H72 F6 Mn4 N8 P
Calculated formula	C32.0008 H72.0018 F6 Mn4 N8 P
Title of publication	Covalent Metal-Metal-Bonded Mn<sub>4</sub> Tetrahedron Inscribed within a Four-Coordinate Manganese Cubane Cluster, As Evidenced by Unexpected Temperature-Independent Diamagnetism.
Authors of publication	Vaddypally, Shivaiah; Jovinelli, Daniel J.; McKendry, Ian G.; Zdilla, Michael J.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	7
Pages of publication	3733 - 3737
a	13.26 ± 0.002 Å
b	13.26 ± 0.002 Å
c	22.193 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	3379.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	6
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1743
Weighted residual factors for all reflections included in the refinement	0.1784
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
233963 (current)	2019-11-23	cif/ Adding structures of 4349413 via cif-deposit CGI script.	4349413.cif