Crystallography Open Database

Information card for entry 4107399

Preview

Coordinates	4107399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 N2 O3 Pd
Calculated formula	C34 H30 N2 O3 Pd
SMILES	[Pd]12([CH]3C(=O)OC(=O)[CH]1=3)[N]1(Cc3c(c4c(cccc4)C1)cccc3)CC[N]12Cc2c(c3c(C1)cccc3)cccc2
Title of publication	Self-Adaptable Catalysts: Substrate-Dependent Ligand Configuration
Authors of publication	Raivis Zalubovskis; Alexis Bouet; Ester Fjellander; Samuel Constant; David Linder; Andreas Fischer; Jérôme Lacour; Timofei Privalov; Christina Moberg
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	1845 - 1855
a	8.36 ± 0.0014 Å
b	12.466 ± 0.005 Å
c	30.729 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	3202.4 ± 1.9 Å³
Cell temperature	299 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1761
Residual factor for significantly intense reflections	0.1225
Weighted residual factors for significantly intense reflections	0.2677
Weighted residual factors for all reflections included in the refinement	0.2966
Goodness-of-fit parameter for all reflections included in the refinement	1.18
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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