Crystallography Open Database

Information card for entry 2001819

2001818 << 2001819 >> 2001820

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Coordinates	2001819.cif
Original IUCr paper	HTML

Structure parameters

Formula	C22 H42 Ba O10
Calculated formula	C22 H40 Ba O10
Title of publication	Barium bis(trimethylacetate)–18-crown-6 (1/1)
Authors of publication	Rheingold, A. L.; White, C. B.; Haggerty, B. S.; Kirlin, P.; Gardiner, R. A.
Journal of publication	Acta Crystallographica Section C
Year of publication	1993
Journal volume	49
Journal issue	4
Pages of publication	808 - 810
a	7.705 ± 0.011 Å
b	9.664 ± 0.01 Å
c	11.285 ± 0.014 Å
α	82.17 ± 0.09°
β	70.42 ± 0.09°
γ	71.75 ± 0.09°
Cell volume	751.4 ± 1.7 Å³
Cell temperature	295 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.0732
Goodness-of-fit parameter for significantly intense reflections	1.72
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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