Crystallography Open Database

Information card for entry 4113572

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Coordinates	4113572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H64 P2 Pd Si
Calculated formula	C44 H63 P2 Pd Si
SMILES	[Pd]1([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	The First Stable Mononuclear Silyl Palladium Hydrides
Authors of publication	Robert C. Boyle; Joel T. Mague; Mark J. Fink
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	3228 - 3229
a	17.1078 ± 0.0003 Å
b	20.5553 ± 0.0004 Å
c	23.1162 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8128.9 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1467
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.1775
Weighted residual factors for all reflections included in the refinement	0.2087
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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