Crystallography Open Database

Information card for entry 4322744

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Coordinates	4322744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H36 Ba F6 N2 O10
Calculated formula	C22 H36 Ba F6 N2 O10
Title of publication	Synthesis, Characterization, and Thermal Behavior of Polydentate Ligand Adducts of Barium Trifluoroacetate
Authors of publication	William A. Wojtczak; Mark J. Hampden-Smith; Eileen N. Duesler
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	1781 - 1790
a	9.263 ± 0.001 Å
b	9.263 ± 0.001 Å
c	35.897 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	3080.1 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for all reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0267
Goodness-of-fit parameter for significantly intense reflections	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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