Crystallography Open Database

Information card for entry 2237064

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Structure parameters

Chemical name	<i>cis</i>-{2,6-Bis[(di-<i>tert</i>- butylphosphanyl)methyl]cyclohexyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}chloridopalladium(II)
Formula	C24 H49 Cl P2 Pd
Calculated formula	C24 H49 Cl P2 Pd
SMILES	[Pd]12(Cl)[P](C[C@@H]3C2[C@@H](CCC3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	<i>cis</i>-{2,6-Bis[(di-<i>tert</i>-butylphosphanyl)methyl]cyclohexyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}chloridopalladium(II)
Authors of publication	Olsson, Daniel; Janse van Rensburg, J. Marthinus; Wendt, Ola F.
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	12
Pages of publication	m1513
a	11.9467 ± 0.0002 Å
b	14.6159 ± 0.0002 Å
c	15.519 ± 0.0003 Å
α	90°
β	100.339 ± 0.002°
γ	90°
Cell volume	2665.8 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181292 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/70.	2237064.cif 2237064.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2237064.cif 2237064.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2237064.cif 2237064.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2237064.cif 2237064.hkl
74188	2013-02-22	hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013.	2237064.cif 2237064.hkl
71343	2013-01-18	cif/ Adding structures of 2237064 via cif-deposit CGI script.	2237064.cif