Crystallography Open Database

Information card for entry 2103796

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Original IUCr paper	HTML

Structure parameters

Chemical name	(2,6-bis((Di-t-butylphosphino)methyl)phenoxy)-trifluoroacetato-palladium(ii)
Formula	C26 H43 F3 O3 P2 Pd
Calculated formula	C26 H43 F3 O3 P2 Pd
SMILES	[Pd]12([P](Cc3c(O2)c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)OC(=O)C(F)(F)F
Title of publication	22 Space-group changes
Authors of publication	Clemente, Dore Augusto; Marzotto, Armando
Journal of publication	Acta Crystallographica Section B
Year of publication	2003
Journal volume	59
Journal issue	1
Pages of publication	43 - 50
a	20.244 ± 0.004 Å
b	10.714 ± 0.002 Å
c	27.238 ± 0.005 Å
α	90°
β	102.76 ± 0.03°
γ	90°
Cell volume	5762 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0145
Residual factor for significantly intense reflections	0.0138
Weighted residual factors for significantly intense reflections	0.0509
Weighted residual factors for all reflections included in the refinement	0.0645
Goodness-of-fit parameter for all reflections included in the refinement	0.639
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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