Crystallography Open Database

Information card for entry 4070228

Preview

Coordinates	4070228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.5 H55 Br2 N4 O0.13 Pd
Calculated formula	C40.5 H55 Br2 N4 O0.125 Pd
Title of publication	13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)
Authors of publication	Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	18
Pages of publication	5395
a	33.6029 ± 0.0015 Å
b	33.6029 ± 0.0015 Å
c	16.6252 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	18772 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1406
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.2034
Weighted residual factors for all reflections included in the refinement	0.2345
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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