Crystallography Open Database

Information card for entry 4073972

Preview

Coordinates	4073972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 Cl6 N4 Pd
Calculated formula	C26 H28 Cl6 N4 Pd
SMILES	c1cn(c2C(c3[n](ccn3C)[Pd](Cl)(Cl)[n]12)C(c1ccc(cc1)C)c1ccc(cc1)C)C.C(C(Cl)Cl)(Cl)Cl
Title of publication	Ethylene Polymerization by Sterically Crowded Palladium(II) Complexes that Contain Bis(heterocycle)methane Ligands
Authors of publication	Burns, Christopher T.; Jordan, Richard F.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	27
Pages of publication	6737
a	14.873 ± 0.008 Å
b	11.336 ± 0.005 Å
c	17.234 ± 0.008 Å
α	90°
β	93.618 ± 0.019°
γ	90°
Cell volume	2900 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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