Crystallography Open Database

Information card for entry 7105674

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Coordinates	7105674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H72 P4 Pd2
Calculated formula	C40 H72 P4 Pd2
SMILES	c12C[P](C(C)C)([Pd][P](Cc3cccc(c3)C[P](C(C)C)(C(C)C)[Pd][P](Cc(ccc1)c2)(C(C)C)C(C)C)(C(C)C)C(C)C)C(C)C
Title of publication	Selective Reduction of a Pd Pincer PCP Complex to Well-Defined Pd(0) Species
Authors of publication	Crisobal Melero; Luis Martinez-Prieto; Pilar Palma; Diego del Rio; Eleuterio Alvarez; Juan Campora
Journal of publication	Chem.Commun.
Year of publication	2010
Journal volume	46
Pages of publication	8851
a	27.2916 ± 0.0011 Å
b	11.1607 ± 0.0004 Å
c	16.05 ± 0.0007 Å
α	90°
β	114.989 ± 0.001°
γ	90°
Cell volume	4431.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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