Crystallography Open Database

Information card for entry 7717370

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Coordinates	7717370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H73.4 Mo N3 O3
Calculated formula	C54 H59 Mo N3 O3
Title of publication	Synthesis and electrochemical properties of molybdenum nitrido complexes supported by redox-active NHC and MIC ligands.
Authors of publication	Leitner, Daniel; Neururer, Florian R.; Hohloch, Stephan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	2
Pages of publication	582 - 594
a	13.5078 ± 0.0007 Å
b	28.4083 ± 0.0015 Å
c	13.9736 ± 0.0007 Å
α	90°
β	95.292 ± 0.002°
γ	90°
Cell volume	5339.3 ± 0.5 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1457
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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