Crystallography Open Database

Information card for entry 7717356

Preview

Coordinates	7717356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H58 Mo N4 O2 S
Calculated formula	C50 H58 Mo N4 O2 S
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	9.324 ± 0.0016 Å
b	11.1134 ± 0.0018 Å
c	23.386 ± 0.004 Å
α	81.921 ± 0.005°
β	85.646 ± 0.005°
γ	86.098 ± 0.005°
Cell volume	2388.3 ± 0.7 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7717356.html