Crystallography Open Database

Information card for entry 7055783

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Coordinates	7055783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Cl2 N6 Pd
Calculated formula	C28 H38 Cl2 N6 Pd
SMILES	[Pd](Cl)(Cl)([n]1nn[nH]c1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling
Authors of publication	Yang, Jin
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	11
Pages of publication	9739
a	15.3005 ± 0.0005 Å
b	16.0897 ± 0.0006 Å
c	12.2535 ± 0.0004 Å
α	90°
β	93.027 ± 0.001°
γ	90°
Cell volume	3012.36 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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