Crystallography Open Database

Information card for entry 2214355

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Structure parameters

Chemical name	<i>cis</i>-[2,6-Bis(di-<i>tert</i>-butylphosphinomethyl)cyclohexyl- κ^3^<i>P</i>,C^1^,<i>P</i>']bromidopalladium(II)
Formula	C24 H49 Br P2 Pd
Calculated formula	C24 H49 Br P2 Pd
SMILES	[Pd]12(Br)[P](C(C)(C)C)(C(C)(C)C)C[C@H]3C2[C@H](CCC3)C[P]1(C(C)(C)C)C(C)(C)C.[Pd]12(Br)[P](C(C)(C)C)(C(C)(C)C)C[C@@H]3C2[C@@H](CCC3)C[P]1(C(C)(C)C)C(C)(C)C
Title of publication	<i>cis</i>-[2,6-Bis(di-<i>tert</i>-butylphosphinomethyl)cyclohexyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']bromidopalladium(II)
Authors of publication	Olsson, Daniel; Janse van Rensburg, J. Marthinus; Wendt, Ola F
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m1969 - m1969
a	11.4392 ± 0.0002 Å
b	15.7757 ± 0.0002 Å
c	15.6508 ± 0.0002 Å
α	90°
β	97.846 ± 0.002°
γ	90°
Cell volume	2797.92 ± 0.07 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	0.944
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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