Crystallography Open Database

Information card for entry 4305509

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Coordinates	4305509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N5 Pd S
Calculated formula	C24 H19 N5 Pd S
SMILES	Cc1csc2N=c3c4ccccc4c4n3[Pd](c3c(N=4)c(ccc3)C)([n]12)[n]1ccccc1
Title of publication	Palladium(II) Complexes of Unsymmetrical CNN Pincer Ligands
Authors of publication	Martin Bröring; Christian Kleeberg; Silke Köhler
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	6404 - 6412
a	12.737 ± 0.004 Å
b	12.633 ± 0.007 Å
c	17.184 ± 0.006 Å
α	90°
β	130.34 ± 0.02°
γ	90°
Cell volume	2107.5 ± 1.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0603
Goodness-of-fit parameter for all reflections included in the refinement	0.767
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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