Crystallography Open Database

Information card for entry 4301908

4301907 << 4301908 >> 4301909

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Structure parameters

Formula	C28 H20 F24 N8 O2 U
Calculated formula	C28 H20 F24 N8 O2 U
SMILES	[n]12[U]345([n]6c(C(F)(F)F)cc([n]46)C(F)(F)F)(n4c(C(F)(F)F)cc([n]54)C(F)(F)F)([n]4c(cc(C(F)(F)F)[n]34)C(F)(F)F)([n]2c(cc1C(F)(F)F)C(F)(F)F)([O]1CCCC1)[O]1CCCC1
Title of publication	Magnetic Exchange Coupling in Actinide-Containing Molecules
Authors of publication	Jeffrey D. Rinehart; T. David Harris; Stosh A. Kozimor; Bart M. Bartlett; Jeffrey R. Long
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	3382 - 3395
a	12.743 ± 0.006 Å
b	16.736 ± 0.008 Å
c	17.799 ± 0.009 Å
α	90°
β	90.899 ± 0.007°
γ	90°
Cell volume	3795 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	138 ± 2 K
Number of distinct elements	6
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	0.0516
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0664
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	0.953
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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