Crystallography Open Database

Information card for entry 7717372

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Coordinates	7717372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H44 Cl Mo N3 O2
Calculated formula	C35 H44 Cl Mo N3 O2
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 Rochus; Hohloch, Stephan
Journal of publication	Dalton Transactions
Year of publication	2024
a	13.7921 ± 0.0006 Å
b	16.5408 ± 0.0008 Å
c	29.0621 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	6630 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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