Crystallography Open Database

Information card for entry 2010648

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Structure parameters

Chemical name	(Dicyclohexyldithiophosphinato-S,S')-[2-(2-pyridyl-N)phenyl]mercury(II)
Formula	C23 H30 Hg N P S2
Calculated formula	C23 H30 Hg N P S2
SMILES	[n]12ccccc1c1c(cccc1)[Hg]2SP(C1CCCCC1)(C1CCCCC1)=S
Title of publication	(Dicyclohexyldithiophosphinato-<i>S</i>,<i>S</i>')[2-(2-pyridyl-<i>N</i>)phenyl]mercury(II)
Authors of publication	Casas, José S.; Castellano, Eduardo E.; García Tasende, M.S.; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.; Zukerman-Schpector, Julio
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	2
Pages of publication	182 - 183
a	14.923 ± 0.002 Å
b	9.9557 ± 0.001 Å
c	15.728 ± 0.002 Å
α	90°
β	95.088 ± 0.01°
γ	90°
Cell volume	2327.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.119
Residual factor for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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