Crystallography Open Database

Information card for entry 4327690

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Structure parameters

Formula	C22 H28 Ba F12 N2 O6
Calculated formula	C22 H28 Ba F12 N2 O6
SMILES	[Ba]123456(OC(=CC(=[N]5CC[O]1CC[O]2CC)C(F)(F)F)C(F)(F)F)OC(=CC(=[N]6CC[O]3CC[O]4CC)C(F)(F)F)C(F)(F)F
Title of publication	Approaches to Alkaline Earth Metal-Organic Chemical Vapor Deposition Precursors. Synthesis and Characterization of Barium Fluoro-β-ketoiminate Complexes Having Appended Polyether "Lariats"
Authors of publication	Deborah A. Neumayer; John A. Belot; Richard L. Feezel; Charles Reedy; Charlotte L. Stern; Tobin J. Marks; Louise M. Liable-Sands; Arnold L. Rheingold
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	5625 - 5633
a	12.1175 ± 0.0002 Å
b	14.9238 ± 0.0002 Å
c	16.9767 ± 0.0003 Å
α	90°
β	90.084 ± 0.001°
γ	90°
Cell volume	3070.05 ± 0.08 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.038
Weighted residual factors for all reflections	0.0979
Weighted residual factors for significantly intense reflections	0.0803
Goodness-of-fit parameter for all reflections	1.017
Goodness-of-fit parameter for significantly intense reflections	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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