Crystallography Open Database

Information card for entry 7717360

Preview

Coordinates	7717360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H68 Mo N4 O2 S
Calculated formula	C43 H61 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	16.754 ± 0.002 Å
b	17.595 ± 0.002 Å
c	18.362 ± 0.002 Å
α	65.177 ± 0.005°
β	68.89 ± 0.005°
γ	81.949 ± 0.005°
Cell volume	4582.7 ± 0.9 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 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	0.1471
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1828
Goodness-of-fit parameter for all reflections included in the refinement	0.958
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298882 (current)	2025-04-05	cif/ Updating files of 7717356, 7717357, 7717358, 7717359, 7717360, 7717361, 7717362, 7717363, 7717364, 7717365, 7717366, 7717367, 7717368, 7717369, 7717370, 7717371, 7717372 Original log message: Adding full bibliography for 7717356--7717372.cif.	7717360.cif
295730	2024-11-03	cif/ Adding structures of 7717356, 7717357, 7717358, 7717359, 7717360, 7717361, 7717362, 7717363, 7717364, 7717365, 7717366, 7717367, 7717368, 7717369, 7717370, 7717371, 7717372 via cif-deposit CGI script.	7717360.cif