Crystallography Open Database

Information card for entry 4314867

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Coordinates	4314867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 F6 N2 O4 Pd2
Calculated formula	C26 H16 F6 N2 O4 Pd2
SMILES	[Pd]123([Pd]4([O]=C(O1)C(F)(F)F)(OC(=[O]2)C(F)(F)F)[n]1ccccc1c1ccccc41)[n]1ccccc1c1ccccc31
Title of publication	Electronic Structures of PdII Dimers
Authors of publication	John E. Bercaw; Alec C. Durrell; Harry B. Gray; Jennifer C. Green; Nilay Hazari; Jay A. Labinger; Jay R. Winkler
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1801 - 1810
a	26.4337 ± 0.001 Å
b	17.4055 ± 0.0007 Å
c	17.2538 ± 0.0007 Å
α	90°
β	104.951 ± 0.001°
γ	90°
Cell volume	7669.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.74
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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