Crystallography Open Database

Information card for entry 4305508

Preview

Coordinates	4305508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.925 H18.925 Cl2.77 N4 O2 Pd1.02
Calculated formula	C22.923 H18.923 Cl2.769 N4 O2 Pd1.0218
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	23.2418 ± 0.0017 Å
b	11.5637 ± 0.0011 Å
c	17.968 ± 0.0012 Å
α	90°
β	104.537 ± 0.005°
γ	90°
Cell volume	4674.5 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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