Crystallography Open Database

Information card for entry 4101483

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Coordinates	4101483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 Cl N2 Pd
Calculated formula	C19 H17 Cl N2 Pd
SMILES	[Pd](Cl)([n]1ccccc1)([n]1ccccc1)C1C=Cc2ccccc12
Title of publication	New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.
Authors of publication	Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Journal issue	19
Pages of publication	6508 - 6519
a	13.2654 ± 0.0002 Å
b	13.3187 ± 0.0002 Å
c	19.3102 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3411.69 ± 0.1 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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