Crystallography Open Database

Information card for entry 1100721

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Coordinates	1100721.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Manganese carbodiimide
Formula	C Mn N2
Calculated formula	C Mn N2
Title of publication	Synthesis, Crystal Structure, and Properties of MnNCN, the First Carbodiimide of a Magnetic Transition Metal
Authors of publication	Xiaohui Liu; Manuel Krott; Paul Müller; Chunhua Hu; Heiko Lueken; Richard Dronskowski
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3001 - 3003
a	3.3583 ± 0.0004 Å
b	3.3583 ± 0.0004 Å
c	14.3468 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	140.13 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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