Crystallography Open Database

Information card for entry 2103799

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Chemical name	(eta$3!-Allyl)-(N,N'-dimethyl-2-(diphenylphosphanyl)aniline-N,P)-palladium(ii) hexafluorophosphate
Formula	C23 H25 F6 N P2 Pd
Calculated formula	C23 H25 F6 N P2 Pd
SMILES	[Pd]123([P](c4ccccc4[N]1(C)C)(c1ccccc1)c1ccccc1)[CH2]=[CH]2C3.[P](F)(F)(F)(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	15.197 ± 0.006 Å
b	9.042 ± 0.003 Å
c	18.559 ± 0.009 Å
α	90°
β	108.02 ± 0.04°
γ	90°
Cell volume	2425.1 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	I 1 a 1
Hall space group symbol	I -2ya
Residual factor for all reflections	0.009
Residual factor for significantly intense reflections	0.0086
Weighted residual factors for significantly intense reflections	0.0275
Weighted residual factors for all reflections included in the refinement	0.0319
Goodness-of-fit parameter for all reflections included in the refinement	0.156
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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