Crystallography Open Database

Information card for entry 2214171

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Structure parameters

Chemical name	Di-μ-diphenylphosphido-bis{chlorido[(mesitylmethyl)diphenylphosphine- κP]palladium(II)]}
Formula	C68 H66 Cl2 P4 Pd2
Calculated formula	C68 H66 Cl2 P4 Pd2
SMILES	C(c1c(cc(cc1C)C)C)[P](c1ccccc1)(c1ccccc1)[Pd]1([P](c2ccccc2)(c2ccccc2)[Pd]([P]1(c1ccccc1)c1ccccc1)([P](Cc1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)Cl)Cl
Title of publication	Di-μ-diphenylphosphido-bis{chlorido[(mesitylmethyl)diphenylphosphine-κ<i>P</i>]palladium(II)}
Authors of publication	Chahen, Ludovic; Therrien, Bruno; Süss-Fink, Georg
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m1989 - m1989
a	12.0793 ± 0.0007 Å
b	22.6156 ± 0.0014 Å
c	22.5499 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	6160.2 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	0.775
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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