Crystallography Open Database

Information card for entry 4346058

Preview

Coordinates	4346058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H85 B F Mn N8 O2
Calculated formula	C71 H85 B F Mn N8 O2
Title of publication	Coordination-induced spin-state change in manganese(V) complexes: the electronic structure of manganese(V) nitrides.
Authors of publication	Kropp, Henning; Scheurer, Andreas; Heinemann, Frank W.; Bendix, Jesper; Meyer, Karsten
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	7
Pages of publication	3562 - 3572
a	15.0917 ± 0.0013 Å
b	15.1271 ± 0.0013 Å
c	15.1653 ± 0.0014 Å
α	99.476 ± 0.002°
β	113.149 ± 0.002°
γ	96.814 ± 0.002°
Cell volume	3075.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
231602 (current)	2019-11-22	cif/ Adding structures of 4346054, 4346055, 4346056, 4346057, 4346058, 4346059 via cif-deposit CGI script.	4346058.cif