Crystallography Open Database

Information card for entry 4072965

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Coordinates	4072965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 P2 Pd
Calculated formula	C24 H44 P2 Pd
SMILES	c12[PdH]3[P](C(C)(C)C)(Cc1cccc2C[P]3(C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Synthesis and Reactivity of (PCP) Palladium Hydroxy Carbonyl and Related Complexes toward CO2and Phenylacetylene
Authors of publication	Johansson, Roger; Wendt, Ola F.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	9
Pages of publication	2426
a	16.3617 ± 0.0001 Å
b	16.3617 ± 0.0001 Å
c	19.3825 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5188.8 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.1079
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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