Crystallography Open Database

Information card for entry 4118644

Preview

Coordinates	4118644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H75 B Mn N8 O
Calculated formula	C66.998 H74.985 B Mn N8 O0.998
Title of publication	Manganese Nitride Complexes in Oxidation States III, IV, and V: Synthesis and Electronic Structure
Authors of publication	Henning Kropp; Amanda E. King; Marat M. Khusniyarov; Frank W. Heinemann; Kyle M. Lancaster; Serena DeBeer; Eckhard Bill; Karsten Meyer
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	15538 - 15544
a	12.513 ± 0.003 Å
b	12.686 ± 0.003 Å
c	21.618 ± 0.005 Å
α	77.915 ± 0.004°
β	85.171 ± 0.004°
γ	60.516 ± 0.004°
Cell volume	2920.3 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1114
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4118644.cif
76193	2013-03-17	cif/ Adding structures of 4118644 via cif-deposit CGI script.	4118644.cif