Crystallography Open Database

Information card for entry 4084370

Preview

Coordinates	4084370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H86 F12 N12 O4 P2 Pd2
Calculated formula	C70 H86 F12 N12 O4 P2 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	12.906 ± 0.0006 Å
b	20.2987 ± 0.0008 Å
c	14.3684 ± 0.0007 Å
α	90°
β	102.751 ± 0.004°
γ	90°
Cell volume	3671.3 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
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	0.0389
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4084370.html