Crystallography Open Database

Information card for entry 4072759

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Coordinates	4072759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H40 N6 O3 Pd
Calculated formula	C45 H40 N6 O3 Pd
Title of publication	Nonchelate and Chelate Complexes of Palladium(II) with N-Heterocyclic Carbene Ligands of Amido Functionality
Authors of publication	Liao, Chuang-Yi; Chan, Kai-Ting; Zeng, Jing-Yao; Hu, Ching-Han; Tu, Cheng-Yi; Lee, Hon Man
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	7
Pages of publication	1692
a	31.688 ± 0.009 Å
b	31.688 ± 0.009 Å
c	22.273 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	19369 ± 10 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.2263
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1492
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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