Crystallography Open Database

Information card for entry 4084372

Preview

Coordinates	4084372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20.5 Cl3 N6.5 Pd2
Calculated formula	C16 H20.5 Cl3 N6.5 Pd2
Title of publication	Dinuclear Palladium Complexes of Pyrazole-Bridged Bis(NHC) Ligands: A Delicate Balance between Normal and Abnormal Carbene Coordination
Authors of publication	Guo, Tongxun; Dechert, Sebastian; Meyer, Franc
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	19
Pages of publication	5145
a	8.4677 ± 0.0007 Å
b	11.5408 ± 0.001 Å
c	11.9833 ± 0.001 Å
α	82.86 ± 0.007°
β	69.725 ± 0.006°
γ	71.791 ± 0.006°
Cell volume	1043.32 ± 0.16 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1267
Residual factor for significantly intense reflections	0.0995
Weighted residual factors for significantly intense reflections	0.2685
Weighted residual factors for all reflections included in the refinement	0.2852
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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