Crystallography Open Database

Information card for entry 2008177

2008176 << 2008177 >> 2008178

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Coordinates	2008177.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dichloro[1-(thiomethyl)-2-(diphenylphosphino)ethane]palladium(II)
Formula	C15 H17 Cl2 P Pd S
Calculated formula	C15 H17 Cl2 P Pd S
SMILES	[Pd]1(Cl)(Cl)[S](CC[P]1(c1ccccc1)c1ccccc1)C
Title of publication	A dichloropalladium(II) complex with a mixed-donor bidentate ligand: dichloro[2-(diphenylphosphino)-1-(methylthio)ethane-<i>P</i>,<i>S</i>]palladium(II)
Authors of publication	Adnan S. Abu-Surrah; Kristian Lappalainen; Martti Klinga; Markku Leskelä; Hamdallah A. Hodali; Bernhard Rieger
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	2
Pages of publication	188 - 190
a	11.36 ± 0.003 Å
b	12.237 ± 0.002 Å
c	11.717 ± 0.002 Å
α	90°
β	93.63 ± 0.03°
γ	90°
Cell volume	1625.5 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.05
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections	0.077
Weighted residual factors for significantly intense reflections	0.073
Goodness-of-fit parameter for all reflections	1.03
Goodness-of-fit parameter for significantly intense reflections	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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