Crystallography Open Database

Information card for entry 2022533

2022532 << 2022533 >> 2022534

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Coordinates	2022533.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dioxido{2,2'-[l,2-phenylenebis(iminomethylene)]bis(phenolato)}molybdenum(VI) dimethylformamide disolvate
Formula	C26 H32 Mo N4 O6
Calculated formula	C26 H32 Mo N4 O6
SMILES	[Mo]123(Oc4c(cccc4)C[NH]3c3c([NH]1Cc1c(O2)cccc1)cccc3)(=O)=O.O=CN(C)C.O=CN(C)C
Title of publication	Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclohexyl backbones
Authors of publication	Trieu-Tran, Tristhan; Martinez, Stephenie N.; Brannon, Jacob P.; Stieber, S. Chantal E.; John, Alex
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2022
Journal volume	78
Journal issue	3
a	9.601 Å
b	12.86 Å
c	21.428 Å
α	91.44°
β	91.49°
γ	93.22°
Cell volume	2639.68 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.97 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
272410 (current)	2022-02-02	cif/ hkl/ Adding structures of 2022532, 2022533 via cif-deposit CGI script.	2022533.cif