Crystallography Open Database

Information card for entry 2022945

2022944 << 2022945 >> 2022946

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Coordinates	2022945.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>trans</i>-Bis(2-{1-[(6<i>R</i>,<i>S</i>)-3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-<i>N</i>-methylhydrazinecarbothioamidato-κ^2^<i>N</i>^2^,<i>S</i>)palladium(II) ethanol monosolvate
Formula	C42 H66 N6 O Pd S2
Calculated formula	C42 H66 N6 O Pd S2
Title of publication	Synthesis, crystal structure and Hirshfeld analysis of trans-bis(2-{1-[(6R,S)-3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-N-methylhydrazinecarbothioamidato-κ2 N 2,S)palladium(II) ethanol monosolvate
Authors of publication	Melo, Ana Paula Lopes de; Bresolin, Leandro; Tirloni, Bárbara; Farias, Renan Lira de; Oliveira, Adriano Bof de
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	12
Pages of publication	1166 - 1172
a	12.412 ± 0.003 Å
b	12.43 ± 0.004 Å
c	15.7 ± 0.005 Å
α	69.021 ± 0.005°
β	86.73 ± 0.006°
γ	75.348 ± 0.009°
Cell volume	2186.6 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0322
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0664
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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