Crystallography Open Database

Information card for entry 4333965

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Structure parameters

Formula	C48 H68 F4 N2 P4 Pd2
Calculated formula	C48 H68 F4 N2 P4 Pd2
SMILES	c12c(ccc(c1)F)N1[Pd]([Pd]34N(c5c(cc(cc5)F)[P]3(C(C)C)C(C)C)c3c(cc(cc3)F)[P]4(C(C)C)C(C)C)([P]2(C(C)C)C(C)C)[P](c2c1ccc(c2)F)(C(C)C)C(C)C
Title of publication	Understanding Pd-Pd Bond Length Variation in (PNP)Pd-Pd(PNP) Dimers
Authors of publication	Justin R. Walensky; Claudia M. Fafard; Chengyun Guo; Christina M. Brammell; Bruce M. Foxman; Michael B. Hall; Oleg V. Ozerov
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2317 - 2322
a	17.6501 ± 0.0004 Å
b	17.6501 ± 0.0004 Å
c	15.1012 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4704.4 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0161
Residual factor for significantly intense reflections	0.0148
Weighted residual factors for all reflections	0.039
Weighted residual factors for significantly intense reflections	0.0386
Weighted residual factors for all reflections included in the refinement	0.039
Goodness-of-fit parameter for all reflections included in the refinement	0.9899
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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