Crystallography Open Database

Information card for entry 4103844

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Coordinates	4103844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 F N2 Pd
Calculated formula	C16 H15 F N2 Pd
SMILES	[Pd](F)([n]1ccccc1)(c1ccccc1)[n]1ccccc1
Title of publication	trans-Difluoro Complexes of Palladium(II)
Authors of publication	Vladimir V. Grushin; William J. Marshall
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	918 - 919
a	21.979 ± 0.003 Å
b	9.4601 ± 0.001 Å
c	15.5953 ± 0.0017 Å
α	90°
β	120.946 ± 0.002°
γ	90°
Cell volume	2781 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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