Crystallography Open Database

Information card for entry 8105058

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Coordinates	8105058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 Mo N2 O6 S
Calculated formula	C19 H20 Mo N2 O6 S
SMILES	[Mo]12(OC(=N[N]2=C(C=C(O1)c1ccccc1)C)c1c(O)cccc1)(=O)(=O)[O]=S(C)C
Title of publication	Crystal structure of (dimethyl sulfoxide)-dioxido-[2-hydroxy-N′-(4-oxo-4-phenylbutan-2-ylidene)benzohydrazidato κ3N,O,O′]molybdenum(VI), C19H20MoN2O6S
Authors of publication	Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	203 - 205
a	13.406 ± 0.0001 Å
b	16.5112 ± 0.0001 Å
c	17.6357 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3903.65 ± 0.04 Å³
Cell temperature	100 ± 2 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	0.0219
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274474 (current)	2022-04-12	cif/ Adding structures of 8105058 via cif-deposit CGI script.	8105058.cif